CID 5380960

N'-[(e)-1,3-benzodioxol-5-ylmethylidene]-2-cyanoacetohydrazide

Structural Information

Molecular Formula
C11H9N3O3
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)CC#N
InChI
InChI=1S/C11H9N3O3/c12-4-3-11(15)14-13-6-8-1-2-9-10(5-8)17-7-16-9/h1-2,5-6H,3,7H2,(H,14,15)/b13-6+
InChIKey
JASXZFYKCMRFAB-AWNIVKPZSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.06439 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07167 150.9
[M+Na]+ 254.05361 160.1
[M-H]- 230.05711 156.2
[M+NH4]+ 249.09821 166.7
[M+K]+ 270.02755 158.4
[M+H-H2O]+ 214.06165 137.3
[M+HCOO]- 276.06259 171.5
[M+CH3COO]- 290.07824 205.1
[M+Na-2H]- 252.03906 157.8
[M]+ 231.06384 148.0
[M]- 231.06494 148.0
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

No patent data available for this compound.