CID 9898880

Methyl 3-aminopyridine-2-carboxylate

Structural Information

Molecular Formula
C7H8N2O2
SMILES
COC(=O)C1=C(C=CC=N1)N
InChI
InChI=1S/C7H8N2O2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,8H2,1H3
InChIKey
YQKTYFNLRUWQFV-UHFFFAOYSA-N
Compound name
methyl 3-aminopyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

338
Patents

152.05858 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe