CID 57053

(2-hydroxyethyl)tripropylammonium chloride

Structural Information

Molecular Formula

C₁₁H₂₆NO

SMILES

CCC[N+](CCC)(CCC)CCO

InChI

InChI=1S/C11H26NO/c1-4-7-12(8-5-2,9-6-3)10-11-13/h13H,4-11H2,1-3H3/q+1

InChIKey

ZWRMFEQRSUWLKC-UHFFFAOYSA-N

Compound name

2-hydroxyethyl(tripropyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 591
Patents: 188.20145 Da
Monoisotopic Mass: 2.3
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]+	189.20873	146.4
[M+Na]+	211.19067	151.3
[M-H]-	187.19417	146.4
[M+NH4]+	206.23527	166.3
[M+K]+	227.16461	144.9
[M+H-H2O]+	171.19871	144.4
[M+HCOO]-	233.19965	168.0
[M+CH3COO]-	247.21530	182.9
[M+Na-2H]-	209.17612	154.2
[M]+	188.20090	148.1
[M]-	188.20200	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe