CID 14061248

(e)-5-[(4as,5s,8as)-2,5,8a-trimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

Structural Information

Molecular Formula
C25H40O2
SMILES
CC1=C([C@]2(CCC[C@@]([C@@H]2CC1)(C)CCC=C(C)C)C)CC/C(=C/C(=O)O)/C
InChI
InChI=1S/C25H40O2/c1-18(2)9-7-14-24(5)15-8-16-25(6)21(20(4)11-13-22(24)25)12-10-19(3)17-23(26)27/h9,17,22H,7-8,10-16H2,1-6H3,(H,26,27)/b19-17+/t22-,24+,25+/m0/s1
InChIKey
VMXBEUNFNFIWLY-UQHDQXJESA-N
Compound name
(E)-5-[(4aS,5S,8aS)-2,5,8a-trimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.30283 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.31011 195.5
[M+Na]+ 395.29205 197.8
[M-H]- 371.29555 196.2
[M+NH4]+ 390.33665 212.2
[M+K]+ 411.26599 192.8
[M+H-H2O]+ 355.30009 190.3
[M+HCOO]- 417.30103 205.0
[M+CH3COO]- 431.31668 221.2
[M+Na-2H]- 393.27750 191.0
[M]+ 372.30228 192.8
[M]- 372.30338 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.