CID 16776132

2-(n-methyl-1-pyridin-2-ylformamido)acetic acid

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CN(CC(=O)O)C(=O)C1=CC=CC=N1
InChI
InChI=1S/C9H10N2O3/c1-11(6-8(12)13)9(14)7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,12,13)
InChIKey
BJAXEZMIXJTTEU-UHFFFAOYSA-N
Compound name
2-[methyl(pyridine-2-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

194.06914 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 140.0
[M+Na]+ 217.058358 146.3
[M-H]- 193.061864 142.3
[M+NH4]+ 212.102963 157.3
[M+K]+ 233.032298 146.0
[M+H-H2O]+ 177.066400 132.9
[M+HCOO]- 239.067341 162.4
[M+CH3COO]- 253.082991 185.1
[M+Na-2H]- 215.043806 145.0
[M]+ 194.06859142 140.6
[M]- 194.06968858 140.6
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