CID 100841

41572-20-7

Structural Information

Molecular Formula

C₁₃H₃₀NO₂

SMILES

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

InChI

InChI=1S/C13H30NO2/c1-3-4-5-6-7-8-9-14(2,10-12-15)11-13-16/h15-16H,3-13H2,1-2H3/q+1

InChIKey

MVDBOLCHRMMMHM-UHFFFAOYSA-N

Compound name

bis(2-hydroxyethyl)-methyl-octylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 232.22766 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]+	233.23494	159.2
[M+Na]+	255.21688	162.7
[M-H]-	231.22038	157.3
[M+NH4]+	250.26148	176.5
[M+K]+	271.19082	155.3
[M+H-H2O]+	215.22492	156.7
[M+HCOO]-	277.22586	178.8
[M+CH3COO]-	291.24151	188.1
[M+Na-2H]-	253.20233	165.5
[M]+	232.22711	161.1
[M]-	232.22821	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe