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
1
Annotation Hits

0
References

10
Patents

319.27225 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.279526 184.9
[M+Na]+ 342.261468 186.1
[M-H]- 318.264974 180.4
[M+NH4]+ 337.306073 197.8
[M+K]+ 358.235408 178.6
[M+H-H2O]+ 302.269510 183.4
[M+HCOO]- 364.270451 217.1
[M+CH3COO]- 378.286101 200.8
[M+Na-2H]- 340.246916 188.5
[M]+ 319.27170142 188.7
[M]- 319.27279858 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.