CID 13222014

89054-81-9

Structural Information

Molecular Formula
C15H16N2O2
SMILES
C1=CC=C(C=C1)CNCCOC(=O)C2=CN=CC=C2
InChI
InChI=1S/C15H16N2O2/c18-15(14-7-4-8-16-12-14)19-10-9-17-11-13-5-2-1-3-6-13/h1-8,12,17H,9-11H2
InChIKey
VTOLQTJMIWFRRU-UHFFFAOYSA-N
Compound name
2-(benzylamino)ethyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.128476 158.3
[M+Na]+ 279.110418 163.5
[M-H]- 255.113924 163.0
[M+NH4]+ 274.155023 172.8
[M+K]+ 295.084358 160.1
[M+H-H2O]+ 239.118460 149.2
[M+HCOO]- 301.119401 181.7
[M+CH3COO]- 315.135051 195.9
[M+Na-2H]- 277.095866 165.2
[M]+ 256.12065142 158.9
[M]- 256.12174858 158.9
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.