CID 24708478

2-[(5-carbamoylpyridin-2-yl)amino]acetic acid

Structural Information

Molecular Formula
C8H9N3O3
SMILES
C1=CC(=NC=C1C(=O)N)NCC(=O)O
InChI
InChI=1S/C8H9N3O3/c9-8(14)5-1-2-6(10-3-5)11-4-7(12)13/h1-3H,4H2,(H2,9,14)(H,10,11)(H,12,13)
InChIKey
AUJHPMSOBZDDRX-UHFFFAOYSA-N
Compound name
2-[(5-carbamoylpyridin-2-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06439 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07167 139.6
[M+Na]+ 218.05361 146.0
[M-H]- 194.05711 140.3
[M+NH4]+ 213.09821 155.7
[M+K]+ 234.02755 144.3
[M+H-H2O]+ 178.06165 132.5
[M+HCOO]- 240.06259 162.2
[M+CH3COO]- 254.07824 185.2
[M+Na-2H]- 216.03906 144.3
[M]+ 195.06384 137.2
[M]- 195.06494 137.2
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

No patent data available for this compound.