CID 79426262

1-cyclopentylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CCC(C1)C2(CCC2)C(=O)O
InChI
InChI=1S/C10H16O2/c11-9(12)10(6-3-7-10)8-4-1-2-5-8/h8H,1-7H2,(H,11,12)
InChIKey
XJRAKGLEHFAIBL-UHFFFAOYSA-N
Compound name
1-cyclopentylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 136.9
[M+Na]+ 191.104258 140.3
[M-H]- 167.107764 141.6
[M+NH4]+ 186.148863 153.2
[M+K]+ 207.078198 141.6
[M+H-H2O]+ 151.112300 127.8
[M+HCOO]- 213.113241 155.3
[M+CH3COO]- 227.128891 177.9
[M+Na-2H]- 189.089706 139.3
[M]+ 168.11449142 140.7
[M]- 168.11558858 140.7
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.