CID 110349

77500-13-1

Structural Information

Molecular Formula

C₁₇H₃₇NO₄

SMILES

CCCCCCCCCCOCCC[N+](CCO)(CCO)[O-]

InChI

InChI=1S/C17H37NO4/c1-2-3-4-5-6-7-8-9-16-22-17-10-11-18(21,12-14-19)13-15-20/h19-20H,2-17H2,1H3

InChIKey

LWRSNBZRBQURHN-UHFFFAOYSA-N

Compound name

3-decoxy-N,N-bis(2-hydroxyethyl)propan-1-amine oxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 319.27225 Da
Monoisotopic Mass: 3.1
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	184.9
[M+Na]+	342.26147	186.1
[M-H]-	318.26497	180.4
[M+NH4]+	337.30607	197.8
[M+K]+	358.23541	178.6
[M+H-H2O]+	302.26951	183.4
[M+HCOO]-	364.27045	217.1
[M+CH3COO]-	378.28610	200.8
[M+Na-2H]-	340.24692	188.5
[M]+	319.27170	188.7
[M]-	319.27280	188.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe