CID 1712164

65355-33-1

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

246
Patents

280.24023 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.24751 172.9
[M+Na]+ 303.22945 181.4
[M+NH4]+ 298.27405 180.6
[M+K]+ 319.20339 174.3
[M-H]- 279.23295 175.8
[M+Na-2H]- 301.21490 175.7
[M]+ 280.23968 174.6
[M]- 280.24078 174.6
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