CID 3018057

Schembl2374643

Structural Information

Molecular Formula

C₁₁H₁₁NO₄

SMILES

CC(=NOC(=O)OC)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H11NO4/c1-8(12-16-11(14)15-2)10(13)9-6-4-3-5-7-9/h3-7H,1-2H3

InChIKey

ZOSXMYXXXWLINL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 221.0688 Da
Monoisotopic Mass: 2.0
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]+	222.076076	146.5
[M+Na]+	244.058018	152.7
[M-H]-	220.061524	151.5
[M+NH4]+	239.102623	164.9
[M+K]+	260.031958	153.1
[M+H-H2O]+	204.066060	139.7
[M+HCOO]-	266.067001	171.6
[M+CH3COO]-	280.082651	190.9
[M+Na-2H]-	242.043466	150.9
[M]+	221.06825142	149.9
[M]-	221.06934858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe