CID 737487

Methyl 6-aminonicotinate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2145
Patents

152.05858 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 129.5
[M+Na]+ 175.04780 141.2
[M+NH4]+ 170.09240 137.0
[M+K]+ 191.02174 136.4
[M-H]- 151.05130 130.7
[M+Na-2H]- 173.03325 135.9
[M]+ 152.05803 131.2
[M]- 152.05913 131.2
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