CID 119970

28482-15-7

Structural Information

Molecular Formula

C₁₄H₃₁NO₂

SMILES

CCCCCCCCN(CC(C)O)CC(C)O

InChI

InChI=1S/C14H31NO2/c1-4-5-6-7-8-9-10-15(11-13(2)16)12-14(3)17/h13-14,16-17H,4-12H2,1-3H3

InChIKey

QNRXIVCOPVCHAA-UHFFFAOYSA-N

Compound name

1-[2-hydroxypropyl(octyl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 228
Patents: 245.23547 Da
Monoisotopic Mass: 3.2
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]+	246.24275	168.1
[M+Na]+	268.22469	170.0
[M-H]-	244.22819	165.6
[M+NH4]+	263.26929	184.5
[M+K]+	284.19863	169.1
[M+H-H2O]+	228.23273	161.8
[M+HCOO]-	290.23367	186.2
[M+CH3COO]-	304.24932	200.0
[M+Na-2H]-	266.21014	166.6
[M]+	245.23492	170.5
[M]-	245.23602	170.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe