PubChemLite - Rhodovibrin (C41H60O2)

Structural Information

Molecular Formula

SMILES

C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\CC(C)(C)OC)\C)\C)/CCCC(C)(C)O

InChI

InChI=1S/C41H60O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-17,19-29,31,42H,18,30,32-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,31-19+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+

InChIKey

CGEVWQFVGBQXOA-WQMGISBJSA-N

Compound name

(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-2-ol

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]+	585.46663	233.0
[M+Na]+	607.44857	239.3
[M+NH4]+	602.49317	236.3
[M+K]+	623.42251	236.2
[M-H]-	583.45207	228.4
[M+Na-2H]-	605.43402	237.2
[M]+	584.45880	232.9
[M]-	584.45990	232.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

585.46663

233.0

[M+Na]+

607.44857

239.3

[M+NH4]+

602.49317

236.3

[M+K]+

623.42251

236.2

[M-H]-

583.45207

228.4

[M+Na-2H]-

605.43402

237.2

[M]+

584.45880

232.9

[M]-

584.45990

232.9

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

Rhodovibrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe