CID 47800

66016-20-4

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CCC(C1)C2CC(C2)C(=O)O
InChI
InChI=1S/C10H16O2/c11-10(12)9-5-8(6-9)7-3-1-2-4-7/h7-9H,1-6H2,(H,11,12)
InChIKey
KAGYGNAEIJEXGR-UHFFFAOYSA-N
Compound name
3-cyclopentylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 134.8
[M+Na]+ 191.10426 138.1
[M-H]- 167.10776 139.4
[M+NH4]+ 186.14886 149.4
[M+K]+ 207.07820 139.5
[M+H-H2O]+ 151.11230 124.7
[M+HCOO]- 213.11324 153.2
[M+CH3COO]- 227.12889 179.4
[M+Na-2H]- 189.08971 135.6
[M]+ 168.11449 138.7
[M]- 168.11559 138.7
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.