CID 13466154

Ethyl 2-(methylamino)pyridine-3-carboxylate

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CCOC(=O)C1=C(N=CC=C1)NC
InChI
InChI=1S/C9H12N2O2/c1-3-13-9(12)7-5-4-6-11-8(7)10-2/h4-6H,3H2,1-2H3,(H,10,11)
InChIKey
QRZKSXMODOEUOH-UHFFFAOYSA-N
Compound name
ethyl 2-(methylamino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.08987 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.8
[M+Na]+ 203.079088 145.3
[M-H]- 179.082594 140.3
[M+NH4]+ 198.123693 156.3
[M+K]+ 219.053028 144.1
[M+H-H2O]+ 163.087130 130.8
[M+HCOO]- 225.088071 161.8
[M+CH3COO]- 239.103721 183.2
[M+Na-2H]- 201.064536 144.4
[M]+ 180.08932142 139.3
[M]- 180.09041858 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe