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]+ 160.086926 138.1
[M+Na]+ 182.068868 147.1
[M-H]- 158.072374 142.1
[M+NH4]+ 177.113473 156.6
[M+K]+ 198.042808 144.7
[M+H-H2O]+ 142.076910 125.2
[M+HCOO]- 204.077851 160.5
[M+CH3COO]- 218.093501 196.6
[M+Na-2H]- 180.054316 143.4
[M]+ 159.07910142 131.2
[M]- 159.08019858 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.