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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.27953 183.2
[M+Na]+ 342.26147 187.5
[M+NH4]+ 337.30607 186.9
[M+K]+ 358.23541 182.7
[M-H]- 318.26497 179.9
[M+Na-2H]- 340.24692 181.3
[M]+ 319.27170 182.2
[M]- 319.27280 182.2
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