CID 3022704

1118-38-3

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CC(=C)C(=O)OCC(C)(C)CN(C)C

InChI

InChI=1S/C11H21NO2/c1-9(2)10(13)14-8-11(3,4)7-12(5)6/h1,7-8H2,2-6H3

InChIKey

VVOKYOKVMKJIMT-UHFFFAOYSA-N

Compound name

[3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 199.15723 Da
Monoisotopic Mass: 2.3
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]+	200.164506	148.0
[M+Na]+	222.146448	153.2
[M-H]-	198.149954	149.5
[M+NH4]+	217.191053	167.9
[M+K]+	238.120388	154.1
[M+H-H2O]+	182.154490	143.0
[M+HCOO]-	244.155431	169.2
[M+CH3COO]-	258.171081	194.1
[M+Na-2H]-	220.131896	150.4
[M]+	199.15668142	151.4
[M]-	199.15777858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe