CID 206084

Methanone, (5-amino-1,2,4-oxadiazol-3-yl)phenyl-

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC=C(C=C1)C(=O)C2=NOC(=N2)N
InChI
InChI=1S/C9H7N3O2/c10-9-11-8(12-14-9)7(13)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12)
InChIKey
XIGVHZSEHDMALI-UHFFFAOYSA-N
Compound name
(5-amino-1,2,4-oxadiazol-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

189.05383 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 138.0
[M+Na]+ 212.04305 150.4
[M+NH4]+ 207.08765 145.2
[M+K]+ 228.01699 147.7
[M-H]- 188.04655 141.6
[M+Na-2H]- 210.02850 145.3
[M]+ 189.05328 140.6
[M]- 189.05438 140.6
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

No patent data available for this compound.