CID 9576244

65894-76-0

Structural Information

Molecular Formula

C₁₂H₁₃NO₄

SMILES

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

InChI

InChI=1S/C12H13NO4/c1-3-16-12(15)17-13-9(2)11(14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3/b13-9+

InChIKey

YDMWUMUNUXUYKT-UKTHLTGXSA-N

Compound name

ethyl [(E)-(1-oxo-1-phenylpropan-2-ylidene)amino] carbonate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3091
Patents: 235.08446 Da
Monoisotopic Mass: 2.4
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]+	236.091736	151.3
[M+Na]+	258.073678	157.1
[M-H]-	234.077184	156.0
[M+NH4]+	253.118283	169.0
[M+K]+	274.047618	157.1
[M+H-H2O]+	218.081720	144.2
[M+HCOO]-	280.082661	176.0
[M+CH3COO]-	294.098311	193.9
[M+Na-2H]-	256.059126	155.1
[M]+	235.08391142	155.0
[M]-	235.08500858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe