CID 15223

Isobutyric acid, 4-piperidinocyclohexyl ester

Structural Information

Molecular Formula
C15H27NO2
SMILES
CC(C)C(=O)OC1CCC(CC1)N2CCCCC2
InChI
InChI=1S/C15H27NO2/c1-12(2)15(17)18-14-8-6-13(7-9-14)16-10-4-3-5-11-16/h12-14H,3-11H2,1-2H3
InChIKey
HMSUAYWYBNPMCX-UHFFFAOYSA-N
Compound name
(4-piperidin-1-ylcyclohexyl) 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.20418 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.21146 164.1
[M+Na]+ 276.19340 164.6
[M-H]- 252.19690 166.9
[M+NH4]+ 271.23800 178.8
[M+K]+ 292.16734 163.1
[M+H-H2O]+ 236.20144 155.7
[M+HCOO]- 298.20238 176.6
[M+CH3COO]- 312.21803 195.3
[M+Na-2H]- 274.17885 162.4
[M]+ 253.20363 156.6
[M]- 253.20473 156.6
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.