CID 15225

Isovaleric acid, 4-piperidinocyclohexyl ester

Structural Information

Molecular Formula
C16H29NO2
SMILES
CC(C)CC(=O)OC1CCC(CC1)N2CCCCC2
InChI
InChI=1S/C16H29NO2/c1-13(2)12-16(18)19-15-8-6-14(7-9-15)17-10-4-3-5-11-17/h13-15H,3-12H2,1-2H3
InChIKey
IRYRSABDVVIVBD-UHFFFAOYSA-N
Compound name
(4-piperidin-1-ylcyclohexyl) 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.21982 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.22710 168.3
[M+Na]+ 290.20904 176.8
[M+NH4]+ 285.25364 175.8
[M+K]+ 306.18298 170.8
[M-H]- 266.21254 170.7
[M+Na-2H]- 288.19449 171.6
[M]+ 267.21927 169.9
[M]- 267.22037 169.9
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.