CID 53485732

1-(cyclopropylmethyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CCC(C1)(CC2CC2)C(=O)O
InChI
InChI=1S/C10H16O2/c11-9(12)10(5-1-2-6-10)7-8-3-4-8/h8H,1-7H2,(H,11,12)
InChIKey
ZHTMNMNQERVGTH-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 136.7
[M+Na]+ 191.10426 143.9
[M-H]- 167.10776 142.5
[M+NH4]+ 186.14886 154.8
[M+K]+ 207.07820 141.9
[M+H-H2O]+ 151.11230 132.0
[M+HCOO]- 213.11324 156.7
[M+CH3COO]- 227.12889 178.2
[M+Na-2H]- 189.08971 140.2
[M]+ 168.11449 136.2
[M]- 168.11559 136.2
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.