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]+ 197.153606 150.0
[M+Na]+ 219.135548 153.5
[M-H]- 195.139054 154.2
[M+NH4]+ 214.180153 173.2
[M+K]+ 235.109488 151.5
[M+H-H2O]+ 179.143590 144.9
[M+HCOO]- 241.144531 168.7
[M+CH3COO]- 255.160181 178.8
[M+Na-2H]- 217.120996 149.6
[M]+ 196.14578142 144.0
[M]- 196.14687858 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.