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]+ 169.122316 134.8
[M+Na]+ 191.104258 138.1
[M-H]- 167.107764 139.4
[M+NH4]+ 186.148863 149.4
[M+K]+ 207.078198 139.5
[M+H-H2O]+ 151.112300 124.7
[M+HCOO]- 213.113241 153.2
[M+CH3COO]- 227.128891 179.4
[M+Na-2H]- 189.089706 135.6
[M]+ 168.11449142 138.7
[M]- 168.11558858 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.