CID 71758410

5-amino-6-(methylamino)pyridine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CNC1=C(C=C(C=N1)C(=O)O)N
InChI
InChI=1S/C7H9N3O2/c1-9-6-5(8)2-4(3-10-6)7(11)12/h2-3H,8H2,1H3,(H,9,10)(H,11,12)
InChIKey
HBDWIIRBZYYQCG-UHFFFAOYSA-N
Compound name
5-amino-6-(methylamino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 133.4
[M+Na]+ 190.05869 141.3
[M-H]- 166.06219 134.6
[M+NH4]+ 185.10329 151.2
[M+K]+ 206.03263 139.3
[M+H-H2O]+ 150.06673 126.8
[M+HCOO]- 212.06767 156.8
[M+CH3COO]- 226.08332 181.1
[M+Na-2H]- 188.04414 139.0
[M]+ 167.06892 130.9
[M]- 167.07002 130.9
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