CID 103941

51727-47-0

Structural Information

Molecular Formula

C₁₃H₁₅NO₄

SMILES

CC(=C)C(=O)OCCOC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C13H15NO4/c1-10(2)12(15)17-8-9-18-13(16)14-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H,14,16)

InChIKey

UQFMGLLQCSSNQM-UHFFFAOYSA-N

Compound name

2-(phenylcarbamoyloxy)ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 249.10011 Da
Monoisotopic Mass: 2.8
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]+	250.10739	156.5
[M+Na]+	272.08933	161.4
[M-H]-	248.09283	159.6
[M+NH4]+	267.13393	173.0
[M+K]+	288.06327	160.4
[M+H-H2O]+	232.09737	149.5
[M+HCOO]-	294.09831	179.3
[M+CH3COO]-	308.11396	194.4
[M+Na-2H]-	270.07478	159.2
[M]+	249.09956	158.6
[M]-	249.10066	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe