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
2
Annotation Hits

0
References

60
Patents

319.27225 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.279526 185.6
[M+Na]+ 342.261468 185.8
[M-H]- 318.264974 180.9
[M+NH4]+ 337.306073 198.1
[M+K]+ 358.235408 183.9
[M+H-H2O]+ 302.269510 178.3
[M+HCOO]- 364.270451 202.7
[M+CH3COO]- 378.286101 209.5
[M+Na-2H]- 340.246916 183.6
[M]+ 319.27170142 190.8
[M]- 319.27279858 190.8
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

patents stripe