CID 3048619

4-piperidinol, 4-cyclohexyl-1-methyl-, propionate, hydrochloride

Structural Information

Molecular Formula
C15H27NO2
SMILES
CCC(=O)OC1(CCN(CC1)C)C2CCCCC2
InChI
InChI=1S/C15H27NO2/c1-3-14(17)18-15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h13H,3-12H2,1-2H3
InChIKey
FXAXHFARRTVTQM-UHFFFAOYSA-N
Compound name
(4-cyclohexyl-1-methylpiperidin-4-yl) propanoate
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 165.9
[M-H]- 252.19690 167.3
[M+NH4]+ 271.23800 181.0
[M+K]+ 292.16734 164.3
[M+H-H2O]+ 236.20144 156.2
[M+HCOO]- 298.20238 177.7
[M+CH3COO]- 312.21803 193.9
[M+Na-2H]- 274.17885 164.6
[M]+ 253.20363 157.5
[M]- 253.20473 157.5
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.