CID 103527

2-propenoic acid, 2-(((phenylamino)carbonyl)oxy)propyl ester

Structural Information

Molecular Formula

C₁₃H₁₅NO₄

SMILES

CC(COC(=O)C=C)OC(=O)NC1=CC=CC=C1

InChI

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

InChIKey

ZMZZSWXOXBPBTG-UHFFFAOYSA-N

Compound name

2-(phenylcarbamoyloxy)propyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 249.10011 Da
Monoisotopic Mass: 2.7
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]+	250.107386	156.5
[M+Na]+	272.089328	161.4
[M-H]-	248.092834	159.6
[M+NH4]+	267.133933	173.0
[M+K]+	288.063268	160.4
[M+H-H2O]+	232.097370	149.5
[M+HCOO]-	294.098311	179.3
[M+CH3COO]-	308.113961	194.4
[M+Na-2H]-	270.074776	159.2
[M]+	249.09956142	158.6
[M]-	249.10065858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe