CID 81526

Cis-4-isopropylcyclohexanecarboxylic acid

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)C1CCC(CC1)C(=O)O
InChI
InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKey
YRQKWRUZZCBSIG-UHFFFAOYSA-N
Compound name
4-propan-2-ylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

359
Patents

170.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 139.6
[M+Na]+ 193.119898 143.7
[M-H]- 169.123404 141.0
[M+NH4]+ 188.164503 159.1
[M+K]+ 209.093838 142.7
[M+H-H2O]+ 153.127940 134.4
[M+HCOO]- 215.128881 156.5
[M+CH3COO]- 229.144531 178.8
[M+Na-2H]- 191.105346 140.6
[M]+ 170.13013142 134.9
[M]- 170.13122858 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe