CID 5367152

(z)-(ethyl cyano(2-phenylhydrazin-1-ylidene)formate)

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CCOC(=O)/C(=N\NC1=CC=CC=C1)/C#N
InChI
InChI=1S/C11H11N3O2/c1-2-16-11(15)10(8-12)14-13-9-6-4-3-5-7-9/h3-7,13H,2H2,1H3/b14-10-
InChIKey
NVOMLTILICGMJT-UVTDQMKNSA-N
Compound name
ethyl (2Z)-2-cyano-2-(phenylhydrazinylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 151.7
[M+Na]+ 240.07435 158.9
[M-H]- 216.07785 155.4
[M+NH4]+ 235.11895 167.7
[M+K]+ 256.04829 157.2
[M+H-H2O]+ 200.08239 137.7
[M+HCOO]- 262.08333 173.7
[M+CH3COO]- 276.09898 204.7
[M+Na-2H]- 238.05980 156.4
[M]+ 217.08458 147.2
[M]- 217.08568 147.2
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.