PubChemLite - Chebi:66216 (C30H50O4)

Structural Information

Molecular Formula

SMILES

C/C(=C\CC/C=C(/CC/C=C(/CCC=C(CO)CO)\C)\C)/CC/C=C(/CCC=C(CO)CO)\C

InChI

InChI=1S/C30H50O4/c1-25(13-7-15-27(3)17-9-19-29(21-31)22-32)11-5-6-12-26(2)14-8-16-28(4)18-10-20-30(23-33)24-34/h11-12,15-16,19-20,31-34H,5-10,13-14,17-18,21-24H2,1-4H3/b25-11+,26-12+,27-15+,28-16+

InChIKey

YMMHDITUHQNNKU-DKTKHUEWSA-N

Compound name

(6E,10E,14E,18E)-2,23-bis(hydroxymethyl)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene-1,24-diol

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]+	475.37818	218.0
[M+Na]+	497.36012	224.9
[M-H]-	473.36362	212.1
[M+NH4]+	492.40472	218.6
[M+K]+	513.33406	224.2
[M+H-H2O]+	457.36816	217.1
[M+HCOO]-	519.36910	213.5
[M+CH3COO]-	533.38475	232.6
[M+Na-2H]-	495.34557	206.7
[M]+	474.37035	213.3
[M]-	474.37145	213.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.37818

218.0

[M+Na]+

497.36012

224.9

[M-H]-

473.36362

212.1

[M+NH4]+

492.40472

218.6

[M+K]+

513.33406

224.2

[M+H-H2O]+

457.36816

217.1

[M+HCOO]-

519.36910

213.5

[M+CH3COO]-

533.38475

232.6

[M+Na-2H]-

495.34557

206.7

[M]+

474.37035

213.3

[M]-

474.37145

213.3

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

Chebi:66216

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe