CID 456732

4-cyanobenzohydrazide

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC(=CC=C1C#N)C(=O)NN
InChI
InChI=1S/C8H7N3O/c9-5-6-1-3-7(4-2-6)8(12)11-10/h1-4H,10H2,(H,11,12)
InChIKey
PJWRZYGGTHXGQO-UHFFFAOYSA-N
Compound name
4-cyanobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

161.05891 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 137.7
[M+Na]+ 184.04813 146.6
[M-H]- 160.05163 140.6
[M+NH4]+ 179.09273 155.3
[M+K]+ 200.02207 144.2
[M+H-H2O]+ 144.05617 125.0
[M+HCOO]- 206.05711 159.3
[M+CH3COO]- 220.07276 193.5
[M+Na-2H]- 182.03358 142.9
[M]+ 161.05836 130.0
[M]- 161.05946 130.0
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