CID 15954155

1-phenyl-ethanone o-(5-amino-[1,3,4]oxadiazol-2-ylmethyl)-oxime

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C/C(=N\OCC1=NN=C(O1)N)/C2=CC=CC=C2
InChI
InChI=1S/C11H12N4O2/c1-8(9-5-3-2-4-6-9)15-16-7-10-13-14-11(12)17-10/h2-6H,7H2,1H3,(H2,12,14)/b15-8+
InChIKey
QFHLWCKAPIRIPH-OVCLIPMQSA-N
Compound name
5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09602 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 150.1
[M+Na]+ 255.08524 157.6
[M-H]- 231.08874 156.1
[M+NH4]+ 250.12984 165.3
[M+K]+ 271.05918 156.6
[M+H-H2O]+ 215.09328 140.8
[M+HCOO]- 277.09422 175.3
[M+CH3COO]- 291.10987 194.7
[M+Na-2H]- 253.07069 156.4
[M]+ 232.09547 151.8
[M]- 232.09657 151.8
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

No patent data available for this compound.