PubChemLite - 2-phytyl-1,4-dihydroxynaphthalene (C30H46O2)

Structural Information

Molecular Formula

SMILES

C[C@@H](CCC[C@@H](C)CCC/C(=C/CC1=C(C2=CC=CC=C2C(=C1)O)O)/C)CCCC(C)C

InChI

InChI=1S/C30H46O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29(31)27-17-6-7-18-28(27)30(26)32/h6-7,17-19,21-24,31-32H,8-16,20H2,1-5H3/b25-19+/t23-,24-/m1/s1

InChIKey

AEFNZGGBWOQYID-KQPZCCJBSA-N

Compound name

2-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-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]+	439.35708	218.8
[M+Na]+	461.33902	228.1
[M+NH4]+	456.38362	224.1
[M+K]+	477.31296	219.9
[M-H]-	437.34252	219.6
[M+Na-2H]-	459.32447	219.2
[M]+	438.34925	220.2
[M]-	438.35035	220.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.35708

218.8

[M+Na]+

461.33902

228.1

[M+NH4]+

456.38362

224.1

[M+K]+

477.31296

219.9

[M-H]-

437.34252

219.6

[M+Na-2H]-

459.32447

219.2

[M]+

438.34925

220.2

[M]-

438.35035

220.2

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

2-phytyl-1,4-dihydroxynaphthalene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe