PubChemLite - 2-hexaprenyl-6-methoxyphenol (C37H56O2)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC=C1)OC)O)/C)/C)/C)/C)/C)C

InChI

InChI=1S/C37H56O2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)27-28-35-25-14-26-36(39-8)37(35)38/h14-15,17,19,21,23,25-27,38H,9-13,16,18,20,22,24,28H2,1-8H3/b30-17+,31-19+,32-21+,33-23+,34-27+

InChIKey

WVPRAWNIVDFQBO-DUBIXASGSA-N

Compound name

2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-6-methoxyphenol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	533.43532	246.5
[M+Na]+	555.41726	244.2
[M-H]-	531.42076	244.8
[M+NH4]+	550.46186	232.6
[M+K]+	571.39120	235.4
[M+H-H2O]+	515.42530	238.0
[M+HCOO]-	577.42624	229.9
[M+CH3COO]-	591.44189	254.1
[M+Na-2H]-	553.40271	231.3
[M]+	532.42749	249.9
[M]-	532.42859	249.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.43532

246.5

[M+Na]+

555.41726

244.2

[M-H]-

531.42076

244.8

[M+NH4]+

550.46186

232.6

[M+K]+

571.39120

235.4

[M+H-H2O]+

515.42530

238.0

[M+HCOO]-

577.42624

229.9

[M+CH3COO]-

591.44189

254.1

[M+Na-2H]-

553.40271

231.3

[M]+

532.42749

249.9

[M]-

532.42859

249.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-hexaprenyl-6-methoxyphenol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe