PubChemLite - Sr 11302 (C26H32O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C2=CC=C(C=C2)C

InChI

InChI=1S/C26H32O2/c1-19-11-13-23(14-12-19)22(10-6-8-20(2)18-25(27)28)15-16-24-21(3)9-7-17-26(24,4)5/h6,8,10-16,18H,7,9,17H2,1-5H3,(H,27,28)/b8-6+,16-15+,20-18+,22-10-

InChIKey

RQANARBNMTXCDM-DKOHIBGUSA-N

Compound name

(2E,4E,6Z,8E)-3-methyl-7-(4-methylphenyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic 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]+	377.24751	197.6
[M+Na]+	399.22945	208.3
[M+NH4]+	394.27405	204.4
[M+K]+	415.20339	198.5
[M-H]-	375.23295	199.7
[M+Na-2H]-	397.21490	202.4
[M]+	376.23968	199.6
[M]-	376.24078	199.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

377.24751

197.6

[M+Na]+

399.22945

208.3

[M+NH4]+

394.27405

204.4

[M+K]+

415.20339

198.5

[M-H]-

375.23295

199.7

[M+Na-2H]-

397.21490

202.4

[M]+

376.23968

199.6

[M]-

376.24078

199.6

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

Sr 11302

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe