CID 1712164

(trans,trans)-4'-pentyl-[1,1'-bicyclohexyl]-4-carboxylic acid

Structural Information

Molecular Formula
C18H32O2
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)O
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h14-17H,2-13H2,1H3,(H,19,20)
InChIKey
VRPANQODGRNWRV-UHFFFAOYSA-N
Compound name
4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

280.24023 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.247506 173.0
[M+Na]+ 303.229448 173.0
[M-H]- 279.232954 175.6
[M+NH4]+ 298.274053 187.6
[M+K]+ 319.203388 169.5
[M+H-H2O]+ 263.237490 165.6
[M+HCOO]- 325.238431 185.3
[M+CH3COO]- 339.254081 200.1
[M+Na-2H]- 301.214896 169.7
[M]+ 280.23968142 165.2
[M]- 280.24077858 165.2
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

patents stripe