CID 162491

41830-55-1

Structural Information

Molecular Formula

C₇H₁₈NO₂

SMILES

C[N+](C)(C)CCOCCO

InChI

InChI=1S/C7H18NO2/c1-8(2,3)4-6-10-7-5-9/h9H,4-7H2,1-3H3/q+1

InChIKey

HPPNVAQPNWYKEE-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethoxy)ethyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 53
Patents: 148.13376 Da
Monoisotopic Mass: -0.6
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	130.8
[M+Na]+	171.122978	137.3
[M-H]-	147.126484	131.5
[M+NH4]+	166.167583	152.2
[M+K]+	187.096918	132.4
[M+H-H2O]+	131.131020	129.3
[M+HCOO]-	193.131961	153.9
[M+CH3COO]-	207.147611	172.6
[M+Na-2H]-	169.108426	140.8
[M]+	148.13321142	132.4
[M]-	148.13430858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe