CID 21149738

93842-90-1

Structural Information

Molecular Formula

C₁₁H₂₂NO₂

SMILES

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

InChI

InChI=1S/C11H22NO2/c1-7-10(13)14-11(4,5)12(6,8-2)9-3/h7H,1,8-9H2,2-6H3/q+1

InChIKey

TXBBEOBJXAKZSC-UHFFFAOYSA-N

Compound name

diethyl-methyl-(2-prop-2-enoyloxypropan-2-yl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.16505 Da
Monoisotopic Mass: 2.2
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]+	201.172326	144.0
[M+Na]+	223.154268	150.2
[M-H]-	199.157774	146.0
[M+NH4]+	218.198873	164.1
[M+K]+	239.128208	145.0
[M+H-H2O]+	183.162310	142.7
[M+HCOO]-	245.163251	165.3
[M+CH3COO]-	259.178901	185.7
[M+Na-2H]-	221.139716	152.5
[M]+	200.16450142	146.4
[M]-	200.16559858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.