CID 108911

[1,1'-bicyclohexyl]-1-carboxylic acid

Structural Information

Molecular Formula
C13H22O2
SMILES
C1CCC(CC1)C2(CCCCC2)C(=O)O
InChI
InChI=1S/C13H22O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h11H,1-10H2,(H,14,15)
InChIKey
SJSRFXJWBKOROD-UHFFFAOYSA-N
Compound name
1-cyclohexylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1772
Patents

210.16199 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 152.3
[M+Na]+ 233.151208 153.6
[M-H]- 209.154714 155.6
[M+NH4]+ 228.195813 171.3
[M+K]+ 249.125148 151.6
[M+H-H2O]+ 193.159250 146.1
[M+HCOO]- 255.160191 166.4
[M+CH3COO]- 269.175841 182.3
[M+Na-2H]- 231.136656 154.1
[M]+ 210.16144142 142.4
[M]- 210.16253858 142.4
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