CID 22145836

Methyl 5-amino-6-methoxynicotinate

Structural Information

Molecular Formula
C8H10N2O3
SMILES
COC1=C(C=C(C=N1)C(=O)OC)N
InChI
InChI=1S/C8H10N2O3/c1-12-7-6(9)3-5(4-10-7)8(11)13-2/h3-4H,9H2,1-2H3
InChIKey
MBHLSPAJNLINIC-UHFFFAOYSA-N
Compound name
methyl 5-amino-6-methoxypyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

182.06914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 136.2
[M+Na]+ 205.05836 145.1
[M-H]- 181.06186 138.8
[M+NH4]+ 200.10296 154.7
[M+K]+ 221.03230 144.3
[M+H-H2O]+ 165.06640 129.6
[M+HCOO]- 227.06734 160.2
[M+CH3COO]- 241.08299 182.9
[M+Na-2H]- 203.04381 141.7
[M]+ 182.06859 138.2
[M]- 182.06969 138.2
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