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

4
Patents

196.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 143.2
[M+Na]+ 219.135548 145.1
[M-H]- 195.139054 147.1
[M+NH4]+ 214.180153 154.9
[M+K]+ 235.109488 146.3
[M+H-H2O]+ 179.143590 132.1
[M+HCOO]- 241.144531 158.9
[M+CH3COO]- 255.160181 185.6
[M+Na-2H]- 217.120996 144.3
[M]+ 196.14578142 145.8
[M]- 196.14687858 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