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-carbamoyl-2-pyridinyl)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]+ 196.071666 139.6
[M+Na]+ 218.053608 146.0
[M-H]- 194.057114 140.3
[M+NH4]+ 213.098213 155.7
[M+K]+ 234.027548 144.3
[M+H-H2O]+ 178.061650 132.5
[M+HCOO]- 240.062591 162.2
[M+CH3COO]- 254.078241 185.2
[M+Na-2H]- 216.039056 144.3
[M]+ 195.06384142 137.2
[M]- 195.06493858 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.