CID 58563477

1008138-73-5

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CCOC(=O)C1=CC(=C(N=C1)C)N
InChI
InChI=1S/C9H12N2O2/c1-3-13-9(12)7-4-8(10)6(2)11-5-7/h4-5H,3,10H2,1-2H3
InChIKey
LKGZPPSZEDDGAG-UHFFFAOYSA-N
Compound name
ethyl 5-amino-6-methylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

180.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.1
[M+Na]+ 203.07909 146.6
[M-H]- 179.08259 140.5
[M+NH4]+ 198.12369 156.7
[M+K]+ 219.05303 145.1
[M+H-H2O]+ 163.08713 131.5
[M+HCOO]- 225.08807 161.5
[M+CH3COO]- 239.10372 183.8
[M+Na-2H]- 201.06454 142.9
[M]+ 180.08932 139.0
[M]- 180.09042 139.0
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