CID 174114

78182-00-0

Structural Information

Molecular Formula

C₇H₁₈NO₂

SMILES

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

InChI

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

InChIKey

HZSWYNMKGGUNNS-UHFFFAOYSA-N

Compound name

2-hydroxyethyl-(3-hydroxypropyl)-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
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]+	149.14104	131.3
[M+Na]+	171.12298	137.3
[M-H]-	147.12648	130.5
[M+NH4]+	166.16758	151.9
[M+K]+	187.09692	131.4
[M+H-H2O]+	131.13102	130.0
[M+HCOO]-	193.13196	152.8
[M+CH3COO]-	207.14761	169.8
[M+Na-2H]-	169.10843	140.7
[M]+	148.13321	130.9
[M]-	148.13431	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe