CID 129919834

Methyl 2-amino-6-formylpyridine-3-carboxylate

Structural Information

Molecular Formula
C8H8N2O3
SMILES
COC(=O)C1=C(N=C(C=C1)C=O)N
InChI
InChI=1S/C8H8N2O3/c1-13-8(12)6-3-2-5(4-11)10-7(6)9/h2-4H,1H3,(H2,9,10)
InChIKey
XKSWIHWJPISUOH-UHFFFAOYSA-N
Compound name
methyl 2-amino-6-formylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.0535 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.060776 134.9
[M+Na]+ 203.042718 144.0
[M-H]- 179.046224 137.5
[M+NH4]+ 198.087323 153.3
[M+K]+ 219.016658 142.7
[M+H-H2O]+ 163.050760 128.3
[M+HCOO]- 225.051701 159.0
[M+CH3COO]- 239.067351 182.0
[M+Na-2H]- 201.028166 140.4
[M]+ 180.05295142 136.2
[M]- 180.05404858 136.2
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