CID 9589462

4-cyanoacetophenone hydrazone

Structural Information

Molecular Formula
C9H9N3
SMILES
C/C(=N\N)/C1=CC=C(C=C1)C#N
InChI
InChI=1S/C9H9N3/c1-7(12-11)9-4-2-8(6-10)3-5-9/h2-5H,11H2,1H3/b12-7+
InChIKey
HFJZXQZKSPYGIZ-KPKJPENVSA-N
Compound name
4-ethanehydrazonoylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.07965 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 138.1
[M+Na]+ 182.06887 147.1
[M-H]- 158.07237 142.1
[M+NH4]+ 177.11347 156.6
[M+K]+ 198.04281 144.7
[M+H-H2O]+ 142.07691 125.2
[M+HCOO]- 204.07785 160.5
[M+CH3COO]- 218.09350 196.6
[M+Na-2H]- 180.05432 143.4
[M]+ 159.07910 131.2
[M]- 159.08020 131.2
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

No patent data available for this compound.