CID 53485733

1261269-55-9

Structural Information

Molecular Formula
C12H20O2
SMILES
C1CCC(C1)CC2(CCCC2)C(=O)O
InChI
InChI=1S/C12H20O2/c13-11(14)12(7-3-4-8-12)9-10-5-1-2-6-10/h10H,1-9H2,(H,13,14)
InChIKey
KPZUOPNGYIORSR-UHFFFAOYSA-N
Compound name
1-(cyclopentylmethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 149.6
[M+Na]+ 219.13555 156.4
[M+NH4]+ 214.18015 159.2
[M+K]+ 235.10949 152.8
[M-H]- 195.13905 151.0
[M+Na-2H]- 217.12100 153.8
[M]+ 196.14578 150.7
[M]- 196.14688 150.7
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.