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

27
Patents

177.05383 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.4
[M+Na]+ 200.04305 143.5
[M-H]- 176.04655 137.4
[M+NH4]+ 195.08765 150.2
[M+K]+ 216.01699 140.9
[M+H-H2O]+ 160.05109 125.9
[M+HCOO]- 222.05203 156.6
[M+CH3COO]- 236.06768 147.2
[M+Na-2H]- 198.02850 140.3
[M]+ 177.05328 132.2
[M]- 177.05438 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