CID 135446412

503469-36-1

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1=CC(=CC(=C1)N)C2=NOC(=O)N2
InChI
InChI=1S/C8H7N3O2/c9-6-3-1-2-5(4-6)7-10-8(12)13-11-7/h1-4H,9H2,(H,10,11,12)
InChIKey
ULMIGPCOQATGHG-UHFFFAOYSA-N
Compound name
3-(3-aminophenyl)-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

177.05383 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.061106 133.4
[M+Na]+ 200.043048 143.5
[M-H]- 176.046554 137.4
[M+NH4]+ 195.087653 150.2
[M+K]+ 216.016988 140.9
[M+H-H2O]+ 160.051090 125.9
[M+HCOO]- 222.052031 156.6
[M+CH3COO]- 236.067681 147.2
[M+Na-2H]- 198.028496 140.3
[M]+ 177.05328142 132.2
[M]- 177.05437858 132.2
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

patents stripe