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]+ 190.061106 137.3
[M+Na]+ 212.043048 146.1
[M-H]- 188.046554 142.2
[M+NH4]+ 207.087653 153.9
[M+K]+ 228.016988 144.7
[M+H-H2O]+ 172.051090 129.2
[M+HCOO]- 234.052031 160.7
[M+CH3COO]- 248.067681 181.7
[M+Na-2H]- 210.028496 143.7
[M]+ 189.05328142 137.3
[M]- 189.05437858 137.3
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.