CID 5375804

Ethyl (2e)-2-(phenylhydrazono)propanoate

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

CCOC(=O)/C(=N/NC1=CC=CC=C1)/C

InChI

InChI=1S/C11H14N2O2/c1-3-15-11(14)9(2)12-13-10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3/b12-9+

InChIKey

NRHLGLQBPHEKMF-FMIVXFBMSA-N

Compound name

ethyl (2E)-2-(phenylhydrazinylidene)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 206.10553 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.11281	146.8
[M+Na]+	229.09475	156.8
[M+NH4]+	224.13935	154.1
[M+K]+	245.06869	151.2
[M-H]-	205.09825	149.2
[M+Na-2H]-	227.08020	153.1
[M]+	206.10498	148.6
[M]-	206.10608	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe