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]+ 162.066186 137.7
[M+Na]+ 184.048128 146.6
[M-H]- 160.051634 140.6
[M+NH4]+ 179.092733 155.3
[M+K]+ 200.022068 144.2
[M+H-H2O]+ 144.056170 125.0
[M+HCOO]- 206.057111 159.3
[M+CH3COO]- 220.072761 193.5
[M+Na-2H]- 182.033576 142.9
[M]+ 161.05836142 130.0
[M]- 161.05945858 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