CID 53485734

1-(cyclopentylmethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C13H22O2
SMILES
C1CCC(CC1)(CC2CCCC2)C(=O)O
InChI
InChI=1S/C13H22O2/c14-12(15)13(8-4-1-5-9-13)10-11-6-2-3-7-11/h11H,1-10H2,(H,14,15)
InChIKey
YVYOMBCUIUHEQW-UHFFFAOYSA-N
Compound name
1-(cyclopentylmethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 153.2
[M+Na]+ 233.15121 155.4
[M-H]- 209.15471 156.8
[M+NH4]+ 228.19581 174.0
[M+K]+ 249.12515 153.1
[M+H-H2O]+ 193.15925 147.4
[M+HCOO]- 255.16019 169.4
[M+CH3COO]- 269.17584 181.8
[M+Na-2H]- 231.13666 153.5
[M]+ 210.16144 145.3
[M]- 210.16254 145.3
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.