CID 88092

19493-25-5

Structural Information

Molecular Formula

C₁₃H₂₂NO

SMILES

CC[N+](CC)(CCO)CC1=CC=CC=C1

InChI

InChI=1S/C13H22NO/c1-3-14(4-2,10-11-15)12-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3/q+1

InChIKey

MMKZWJXLFOYJGN-UHFFFAOYSA-N

Compound name

benzyl-diethyl-(2-hydroxyethyl)azanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 26
Patents: 208.17014 Da
Monoisotopic Mass: 1.8
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]+	209.177416	148.5
[M+Na]+	231.159358	153.7
[M-H]-	207.162864	151.8
[M+NH4]+	226.203963	167.2
[M+K]+	247.133298	146.0
[M+H-H2O]+	191.167400	145.3
[M+HCOO]-	253.168341	171.0
[M+CH3COO]-	267.183991	184.1
[M+Na-2H]-	229.144806	157.9
[M]+	208.16959142	148.5
[M]-	208.17068858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe