CID 13222016

89054-82-0

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CC(CNCC1=CC=CC=C1)OC(=O)C2=CN=CC=C2
InChI
InChI=1S/C16H18N2O2/c1-13(10-18-11-14-6-3-2-4-7-14)20-16(19)15-8-5-9-17-12-15/h2-9,12-13,18H,10-11H2,1H3
InChIKey
URGQMQZTSUOVTL-UHFFFAOYSA-N
Compound name
1-(benzylamino)propan-2-yl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 163.4
[M+Na]+ 293.12606 167.8
[M-H]- 269.12956 167.9
[M+NH4]+ 288.17066 177.2
[M+K]+ 309.10000 164.7
[M+H-H2O]+ 253.13410 154.1
[M+HCOO]- 315.13504 185.4
[M+CH3COO]- 329.15069 199.8
[M+Na-2H]- 291.11151 168.5
[M]+ 270.13629 163.7
[M]- 270.13739 163.7
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.