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]+ 186.050936 135.9
[M+Na]+ 208.032878 143.9
[M-H]- 184.036384 136.8
[M+NH4]+ 203.077483 152.3
[M+K]+ 224.006818 144.5
[M+H-H2O]+ 168.040920 128.8
[M+HCOO]- 230.041861 157.4
[M+CH3COO]- 244.057511 178.9
[M+Na-2H]- 206.018326 140.9
[M]+ 185.04311142 137.7
[M]- 185.04420858 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.