CID 236984

Methyl 2-aminopyridine-4-carboxylate

Structural Information

Molecular Formula
C7H8N2O2
SMILES
COC(=O)C1=CC(=NC=C1)N
InChI
InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9)
InChIKey
SVWWNEYBEFASMP-UHFFFAOYSA-N
Compound name
methyl 2-aminopyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1102
Patents

152.05858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 129.1
[M+Na]+ 175.04780 137.5
[M-H]- 151.05130 131.4
[M+NH4]+ 170.09240 148.5
[M+K]+ 191.02174 136.4
[M+H-H2O]+ 135.05584 122.6
[M+HCOO]- 197.05678 153.1
[M+CH3COO]- 211.07243 176.5
[M+Na-2H]- 173.03325 135.7
[M]+ 152.05803 128.8
[M]- 152.05913 128.8
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