Chinensen c (C27H38O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C27H38O4/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-23-17-24(28)18-25(26(23)29)27(30)31/h9,11,13,15,17-18,28-29H,6-8,10,12,14,16H2,1-5H3,(H,30,31)/b20-11+,21-13+,22-15+

InChIKey

IHCSAEWEZQCKOP-FLPKSHQQSA-N

Compound name

2,5-dihydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzoic acid

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]+	427.284276	210.5
[M+Na]+	449.266218	211.9
[M-H]-	425.269724	208.2
[M+NH4]+	444.310823	218.6
[M+K]+	465.240158	205.4
[M+H-H2O]+	409.274260	203.6
[M+HCOO]-	471.275201	221.4
[M+CH3COO]-	485.290851	227.3
[M+Na-2H]-	447.251666	200.0
[M]+	426.27645142	211.3
[M]-	426.27754858	211.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.284276

210.5

[M+Na]+

449.266218

211.9

[M-H]-

425.269724

208.2

[M+NH4]+

444.310823

218.6

[M+K]+

465.240158

205.4

[M+H-H2O]+

409.274260

203.6

[M+HCOO]-

471.275201

221.4

[M+CH3COO]-

485.290851

227.3

[M+Na-2H]-

447.251666

200.0

[M]+

426.27645142

211.3

[M]-

426.27754858

211.3

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

Chinensen c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe