CID 676499

5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C8H6N4O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(O2)N
InChI
InChI=1S/C8H6N4O3/c9-8-11-10-7(15-8)5-2-1-3-6(4-5)12(13)14/h1-4H,(H2,9,11)
InChIKey
ZCDYCESVPSXZFM-UHFFFAOYSA-N
Compound name
5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

206.04399 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05127 138.4
[M+Na]+ 229.03321 151.6
[M+NH4]+ 224.07781 145.5
[M+K]+ 245.00715 151.7
[M-H]- 205.03671 143.5
[M+Na-2H]- 227.01866 145.5
[M]+ 206.04344 141.4
[M]- 206.04454 141.4
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