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 143.2
[M+Na]+ 219.13555 145.1
[M-H]- 195.13905 147.1
[M+NH4]+ 214.18015 154.9
[M+K]+ 235.10949 146.3
[M+H-H2O]+ 179.14359 132.1
[M+HCOO]- 241.14453 158.9
[M+CH3COO]- 255.16018 185.6
[M+Na-2H]- 217.12100 144.3
[M]+ 196.14578 145.8
[M]- 196.14688 145.8
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

patents stripe