CID 106686

Einecs 266-329-9

Structural Information

Molecular Formula

C₁₇H₃₇NO₄

SMILES

CCCCCCCCCCOCC(CN(CCO)CCO)O

InChI

InChI=1S/C17H37NO4/c1-2-3-4-5-6-7-8-9-14-22-16-17(21)15-18(10-12-19)11-13-20/h17,19-21H,2-16H2,1H3

InChIKey

COMSLVZXDHSHPO-UHFFFAOYSA-N

Compound name

1-[bis(2-hydroxyethyl)amino]-3-decoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 319.27225 Da
Monoisotopic Mass: 2.6
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]+	320.27953	185.6
[M+Na]+	342.26147	185.8
[M-H]-	318.26497	180.9
[M+NH4]+	337.30607	198.1
[M+K]+	358.23541	183.9
[M+H-H2O]+	302.26951	178.3
[M+HCOO]-	364.27045	202.7
[M+CH3COO]-	378.28610	209.5
[M+Na-2H]-	340.24692	183.6
[M]+	319.27170	190.8
[M]-	319.27280	190.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe