CID 135414344

Ec 460-450-2

Structural Information

Molecular Formula
C10H9N3O4
SMILES
C1=CC(=CC=C1C2=NOC(=O)N2)NCC(=O)O
InChI
InChI=1S/C10H9N3O4/c14-8(15)5-11-7-3-1-6(2-4-7)9-12-10(16)17-13-9/h1-4,11H,5H2,(H,14,15)(H,12,13,16)
InChIKey
USTVSOSEROPCIX-UHFFFAOYSA-N
Compound name
2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

235.05931 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06659 147.5
[M+Na]+ 258.04853 155.7
[M-H]- 234.05203 150.4
[M+NH4]+ 253.09313 161.0
[M+K]+ 274.02247 153.3
[M+H-H2O]+ 218.05657 139.5
[M+HCOO]- 280.05751 168.6
[M+CH3COO]- 294.07316 185.5
[M+Na-2H]- 256.03398 152.8
[M]+ 235.05876 147.6
[M]- 235.05986 147.6
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

patents stripe