CID 53398095

1824512-71-1

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

CC(C)(C)OC(=O)NC(C)(CC=C)C(=O)O

InChI

InChI=1S/C11H19NO4/c1-6-7-11(5,8(13)14)12-9(15)16-10(2,3)4/h6H,1,7H2,2-5H3,(H,12,15)(H,13,14)

InChIKey

XVMAKOPYGXUPPU-UHFFFAOYSA-N

Compound name

2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 229.13141 Da
Monoisotopic Mass: 1.9
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	152.5
[M+Na]+	252.120628	157.8
[M-H]-	228.124134	151.3
[M+NH4]+	247.165233	169.8
[M+K]+	268.094568	157.4
[M+H-H2O]+	212.128670	148.3
[M+HCOO]-	274.129611	170.8
[M+CH3COO]-	288.145261	190.2
[M+Na-2H]-	250.106076	156.3
[M]+	229.13086142	154.2
[M]-	229.13195858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe