CID 216930

Cyclohexanecarboxylic acid, 4-cyclobutylmethyl-

Structural Information

Molecular Formula
C12H20O2
SMILES
C1CC(C1)CC2CCC(CC2)C(=O)O
InChI
InChI=1S/C12H20O2/c13-12(14)11-6-4-10(5-7-11)8-9-2-1-3-9/h9-11H,1-8H2,(H,13,14)
InChIKey
PRBZATVNPVCJKR-UHFFFAOYSA-N
Compound name
4-(cyclobutylmethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 147.4
[M+Na]+ 219.13555 152.2
[M+NH4]+ 214.18015 151.7
[M+K]+ 235.10949 148.5
[M-H]- 195.13905 147.0
[M+Na-2H]- 217.12100 149.0
[M]+ 196.14578 146.5
[M]- 196.14688 146.5
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.