CID 79426262

1-cyclopentylcyclobutane-1-carboxylicacid

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]+ 169.12232 136.9
[M+Na]+ 191.10426 140.3
[M-H]- 167.10776 141.6
[M+NH4]+ 186.14886 153.2
[M+K]+ 207.07820 141.6
[M+H-H2O]+ 151.11230 127.8
[M+HCOO]- 213.11324 155.3
[M+CH3COO]- 227.12889 177.9
[M+Na-2H]- 189.08971 139.3
[M]+ 168.11449 140.7
[M]- 168.11559 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.