CID 171021

2-[[(butylamino)carbonyl]oxy]ethyl methacrylate

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

CCCCNC(=O)OCCOC(=O)C(=C)C

InChI

InChI=1S/C11H19NO4/c1-4-5-6-12-11(14)16-8-7-15-10(13)9(2)3/h2,4-8H2,1,3H3,(H,12,14)

InChIKey

DBONJWHQIKMBHG-UHFFFAOYSA-N

Compound name

2-(butylcarbamoyloxy)ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 48
Patents: 229.13141 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]+	230.138686	154.7
[M+Na]+	252.120628	159.2
[M-H]-	228.124134	154.3
[M+NH4]+	247.165233	172.3
[M+K]+	268.094568	159.2
[M+H-H2O]+	212.128670	148.7
[M+HCOO]-	274.129611	176.5
[M+CH3COO]-	288.145261	192.9
[M+Na-2H]-	250.106076	155.6
[M]+	229.13086142	158.5
[M]-	229.13195858	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe