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 137.3
[M+Na]+ 212.04305 146.1
[M-H]- 188.04655 142.2
[M+NH4]+ 207.08765 153.9
[M+K]+ 228.01699 144.7
[M+H-H2O]+ 172.05109 129.2
[M+HCOO]- 234.05203 160.7
[M+CH3COO]- 248.06768 181.7
[M+Na-2H]- 210.02850 143.7
[M]+ 189.05328 137.3
[M]- 189.05438 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.