CID 98202

74263-50-6

Structural Information

Molecular Formula
C17H37NO3
SMILES
CCCCCCCCCCCCN(CCO)CC(CO)O
InChI
InChI=1S/C17H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18(13-14-19)15-17(21)16-20/h17,19-21H,2-16H2,1H3
InChIKey
NXWRADQGCVGQIY-UHFFFAOYSA-N
Compound name
3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.27734 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.284616 183.5
[M+Na]+ 326.266558 183.7
[M-H]- 302.270064 178.7
[M+NH4]+ 321.311163 196.7
[M+K]+ 342.240498 181.2
[M+H-H2O]+ 286.274600 176.4
[M+HCOO]- 348.275541 200.3
[M+CH3COO]- 362.291191 207.5
[M+Na-2H]- 324.252006 181.3
[M]+ 303.27679142 187.2
[M]- 303.27788858 187.2
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

No patent data available for this compound.