CID 46082

Ammonium, ethylbis(2-hydroxyethyl)methyl-, chloride

Structural Information

Molecular Formula

C₇H₁₈NO₂

SMILES

CC[N+](C)(CCO)CCO

InChI

InChI=1S/C7H18NO2/c1-3-8(2,4-6-9)5-7-10/h9-10H,3-7H2,1-2H3/q+1

InChIKey

IWBPYNRFDQOVKM-UHFFFAOYSA-N

Compound name

ethyl-bis(2-hydroxyethyl)-methylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 148.13376 Da
Monoisotopic Mass: -0.7
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]+	149.141036	131.3
[M+Na]+	171.122978	137.3
[M-H]-	147.126484	130.5
[M+NH4]+	166.167583	151.9
[M+K]+	187.096918	131.4
[M+H-H2O]+	131.131020	130.0
[M+HCOO]-	193.131961	152.8
[M+CH3COO]-	207.147611	169.8
[M+Na-2H]-	169.108426	140.7
[M]+	148.13321142	130.9
[M]-	148.13430858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe