CID 3048613

4-piperidinol, 1-butyl-4-(m-tolyl)-, propionate, hydrochloride

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCCCN1CCC(CC1)(C2=CC=CC(=C2)C)OC(=O)CC
InChI
InChI=1S/C19H29NO2/c1-4-6-12-20-13-10-19(11-14-20,22-18(21)5-2)17-9-7-8-16(3)15-17/h7-9,15H,4-6,10-14H2,1-3H3
InChIKey
SHRDAFAZEPFQHA-UHFFFAOYSA-N
Compound name
[1-butyl-4-(3-methylphenyl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 176.1
[M+Na]+ 326.20904 180.2
[M-H]- 302.21254 180.1
[M+NH4]+ 321.25364 191.6
[M+K]+ 342.18298 177.0
[M+H-H2O]+ 286.21708 167.7
[M+HCOO]- 348.21802 192.8
[M+CH3COO]- 362.23367 205.8
[M+Na-2H]- 324.19449 177.0
[M]+ 303.21927 175.7
[M]- 303.22037 175.7
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.