CID 123930466

Methyl 3-amino-5,6-dimethylpyridine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC1=CC(=C(N=C1C)C(=O)OC)N
InChI
InChI=1S/C9H12N2O2/c1-5-4-7(10)8(9(12)13-3)11-6(5)2/h4H,10H2,1-3H3
InChIKey
ZXQBCJFHNJMQNB-UHFFFAOYSA-N
Compound name
methyl 3-amino-5,6-dimethylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 137.7
[M+Na]+ 203.07909 147.2
[M-H]- 179.08259 140.5
[M+NH4]+ 198.12369 156.7
[M+K]+ 219.05303 145.7
[M+H-H2O]+ 163.08713 131.4
[M+HCOO]- 225.08807 161.1
[M+CH3COO]- 239.10372 185.0
[M+Na-2H]- 201.06454 141.8
[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