CID 83404243

Methyl 3-(piperidin-2-yl)benzoate hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC(=O)C1=CC=CC(=C1)C2CCCCN2
InChI
InChI=1S/C13H17NO2/c1-16-13(15)11-6-4-5-10(9-11)12-7-2-3-8-14-12/h4-6,9,12,14H,2-3,7-8H2,1H3
InChIKey
SGQRPGAFXLWANY-UHFFFAOYSA-N
Compound name
methyl 3-piperidin-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.4
[M+Na]+ 242.11515 154.8
[M-H]- 218.11865 153.4
[M+NH4]+ 237.15975 166.2
[M+K]+ 258.08909 151.8
[M+H-H2O]+ 202.12319 142.6
[M+HCOO]- 264.12413 167.6
[M+CH3COO]- 278.13978 184.6
[M+Na-2H]- 240.10060 153.7
[M]+ 219.12538 145.3
[M]- 219.12648 145.3
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.