CID 3123823

797806-70-3

Structural Information

Molecular Formula
C6H7N3O4
SMILES
CC1=NON=C1C(=O)NCC(=O)O
InChI
InChI=1S/C6H7N3O4/c1-3-5(9-13-8-3)6(12)7-2-4(10)11/h2H2,1H3,(H,7,12)(H,10,11)
InChIKey
KMFMNUWENSCPHR-UHFFFAOYSA-N
Compound name
2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

185.04366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05094 135.9
[M+Na]+ 208.03288 143.9
[M-H]- 184.03638 136.8
[M+NH4]+ 203.07748 152.3
[M+K]+ 224.00682 144.5
[M+H-H2O]+ 168.04092 128.8
[M+HCOO]- 230.04186 157.4
[M+CH3COO]- 244.05751 178.9
[M+Na-2H]- 206.01833 140.9
[M]+ 185.04311 137.7
[M]- 185.04421 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.