CID 12728444

5-hydrazinyl-3-phenyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC=C(C=C1)C2=NOC(=N2)NN
InChI
InChI=1S/C8H8N4O/c9-11-8-10-7(12-13-8)6-4-2-1-3-5-6/h1-5H,9H2,(H,10,11,12)
InChIKey
DZEMASDGXBAGRN-UHFFFAOYSA-N
Compound name
(3-phenyl-1,2,4-oxadiazol-5-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.06981 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 133.4
[M+Na]+ 199.05903 141.8
[M-H]- 175.06253 138.3
[M+NH4]+ 194.10363 150.3
[M+K]+ 215.03297 140.1
[M+H-H2O]+ 159.06707 125.0
[M+HCOO]- 221.06801 158.7
[M+CH3COO]- 235.08366 147.0
[M+Na-2H]- 197.04448 142.1
[M]+ 176.06926 132.2
[M]- 176.07036 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

literature stripe

Patent stripe

patents stripe