CID 21942658

3-cyanobenzohydrazide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
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

No literature data available for this compound.

Patent stripe

patents stripe