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 150.0
[M+Na]+ 219.13555 153.5
[M-H]- 195.13905 154.2
[M+NH4]+ 214.18015 173.2
[M+K]+ 235.10949 151.5
[M+H-H2O]+ 179.14359 144.9
[M+HCOO]- 241.14453 168.7
[M+CH3COO]- 255.16018 178.8
[M+Na-2H]- 217.12100 149.6
[M]+ 196.14578 144.0
[M]- 196.14688 144.0
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.