CID 48959

Beta-(3-methylpiperidino)ethyl benzoate hydrochloride

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1CCCN(C1)CCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-13-6-5-9-16(12-13)10-11-18-15(17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKey
LQFBXEZIAGFFFG-UHFFFAOYSA-N
Compound name
2-(3-methylpiperidin-1-yl)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 159.0
[M+Na]+ 270.14645 163.0
[M-H]- 246.14995 163.0
[M+NH4]+ 265.19105 174.4
[M+K]+ 286.12039 160.3
[M+H-H2O]+ 230.15449 150.5
[M+HCOO]- 292.15543 177.1
[M+CH3COO]- 306.17108 193.2
[M+Na-2H]- 268.13190 161.6
[M]+ 247.15668 156.5
[M]- 247.15778 156.5
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.