CID 123930466

2694734-57-9

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]+ 181.097146 137.7
[M+Na]+ 203.079088 147.2
[M-H]- 179.082594 140.5
[M+NH4]+ 198.123693 156.7
[M+K]+ 219.053028 145.7
[M+H-H2O]+ 163.087130 131.4
[M+HCOO]- 225.088071 161.1
[M+CH3COO]- 239.103721 185.0
[M+Na-2H]- 201.064536 141.8
[M]+ 180.08932142 139.0
[M]- 180.09041858 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