4-methoxy-3-geranylgeranyl-1,2-dihydroxybenzene (C27H40O3)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC1=C(C=CC(=C1O)O)OC)/C)/C)/C)C

InChI

InChI=1S/C27H40O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-24-26(30-6)19-18-25(28)27(24)29/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16-

InChIKey

JGFQHGDOQGIOND-DCVNSYBLSA-N

Compound name

4-methoxy-3-[(2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene-1,2-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]+	413.305036	209.4
[M+Na]+	435.286978	211.3
[M-H]-	411.290484	208.3
[M+NH4]+	430.331583	219.0
[M+K]+	451.260918	204.8
[M+H-H2O]+	395.295020	202.2
[M+HCOO]-	457.295961	222.3
[M+CH3COO]-	471.311611	227.3
[M+Na-2H]-	433.272426	200.3
[M]+	412.29721142	211.9
[M]-	412.29830858	211.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.305036

209.4

[M+Na]+

435.286978

211.3

[M-H]-

411.290484

208.3

[M+NH4]+

430.331583

219.0

[M+K]+

451.260918

204.8

[M+H-H2O]+

395.295020

202.2

[M+HCOO]-

457.295961

222.3

[M+CH3COO]-

471.311611

227.3

[M+Na-2H]-

433.272426

200.3

[M]+

412.29721142

211.9

[M]-

412.29830858

211.9

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

4-methoxy-3-geranylgeranyl-1,2-dihydroxybenzene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe