CID 57312822

77402-13-2

Structural Information

Molecular Formula

C₁₃H₂₃NO₄

SMILES

CCCCOC(C(=O)OCCCC)NC(=O)C=C

InChI

InChI=1S/C13H23NO4/c1-4-7-9-17-12(14-11(15)6-3)13(16)18-10-8-5-2/h6,12H,3-5,7-10H2,1-2H3,(H,14,15)

InChIKey

XMUHBEXIJQLEDM-UHFFFAOYSA-N

Compound name

butyl 2-butoxy-2-(prop-2-enoylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 257.16272 Da
Monoisotopic Mass: 2.5
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]+	258.169996	163.7
[M+Na]+	280.151938	167.3
[M-H]-	256.155444	162.9
[M+NH4]+	275.196543	180.1
[M+K]+	296.125878	166.8
[M+H-H2O]+	240.159980	157.2
[M+HCOO]-	302.160921	184.8
[M+CH3COO]-	316.176571	199.6
[M+Na-2H]-	278.137386	163.6
[M]+	257.16217142	168.4
[M]-	257.16326858	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe