CID 107539

4316-66-9

Structural Information

Molecular Formula

C₁₁H₂₂NO₂

SMILES

CC[N+](C)(CC)CCOC(=O)C(=C)C

InChI

InChI=1S/C11H22NO2/c1-6-12(5,7-2)8-9-14-11(13)10(3)4/h3,6-9H2,1-2,4-5H3/q+1

InChIKey

IOHYFCXREAFWQR-UHFFFAOYSA-N

Compound name

diethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 661
Patents: 200.16505 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]+	201.17233	145.8
[M+Na]+	223.15427	151.3
[M-H]-	199.15777	147.5
[M+NH4]+	218.19887	165.7
[M+K]+	239.12821	146.0
[M+H-H2O]+	183.16231	143.8
[M+HCOO]-	245.16325	167.6
[M+CH3COO]-	259.17890	186.1
[M+Na-2H]-	221.13972	151.9
[M]+	200.16450	148.0
[M]-	200.16560	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe