CID 55253074

2248352-52-3

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CC1=CC(=CN=C1C(=O)O)N
InChI
InChI=1S/C7H8N2O2/c1-4-2-5(8)3-9-6(4)7(10)11/h2-3H,8H2,1H3,(H,10,11)
InChIKey
OXHFWJQCRORCBM-UHFFFAOYSA-N
Compound name
5-amino-3-methylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

152.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 129.3
[M+Na]+ 175.047798 138.2
[M-H]- 151.051304 130.6
[M+NH4]+ 170.092403 148.3
[M+K]+ 191.021738 136.3
[M+H-H2O]+ 135.055840 123.4
[M+HCOO]- 197.056781 151.8
[M+CH3COO]- 211.072431 175.9
[M+Na-2H]- 173.033246 134.7
[M]+ 152.05803142 127.7
[M]- 152.05912858 127.7
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