CID 53912271

2-amino-5,6-dimethylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=CC(=C(N=C1C)N)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-4-3-6(8(11)12)7(9)10-5(4)2/h3H,1-2H3,(H2,9,10)(H,11,12)
InChIKey
IEPBKEILRNCSPA-UHFFFAOYSA-N
Compound name
2-amino-5,6-dimethylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

166.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 133.7
[M+Na]+ 189.063448 143.1
[M-H]- 165.066954 135.2
[M+NH4]+ 184.108053 152.4
[M+K]+ 205.037388 140.9
[M+H-H2O]+ 149.071490 127.8
[M+HCOO]- 211.072431 155.8
[M+CH3COO]- 225.088081 180.2
[M+Na-2H]- 187.048896 137.8
[M]+ 166.07368142 132.8
[M]- 166.07477858 132.8
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