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

159
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 138.4
[M+Na]+ 184.04813 148.5
[M+NH4]+ 179.09273 142.6
[M+K]+ 200.02207 140.1
[M-H]- 160.05163 133.4
[M+Na-2H]- 182.03358 141.9
[M]+ 161.05836 137.3
[M]- 161.05946 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

No literature data available for this compound.

Patent stripe

patents stripe