CID 86692

18262-04-9

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CCN(CC)CC(C)OC(=O)C(=C)C

InChI

InChI=1S/C11H21NO2/c1-6-12(7-2)8-10(5)14-11(13)9(3)4/h10H,3,6-8H2,1-2,4-5H3

InChIKey

SBLANOOCNKHOSM-UHFFFAOYSA-N

Compound name

1-(diethylamino)propan-2-yl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 199.15723 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]+	200.164506	149.9
[M+Na]+	222.146448	154.4
[M-H]-	198.149954	151.1
[M+NH4]+	217.191053	169.5
[M+K]+	238.120388	155.3
[M+H-H2O]+	182.154490	144.2
[M+HCOO]-	244.155431	171.5
[M+CH3COO]-	258.171081	194.7
[M+Na-2H]-	220.131896	150.0
[M]+	199.15668142	153.0
[M]-	199.15777858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe