CID 102492

3,3'-(dodecylimino)bispropane-1,2-diol

Structural Information

Molecular Formula
C18H39NO4
SMILES
CCCCCCCCCCCCN(CC(CO)O)CC(CO)O
InChI
InChI=1S/C18H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19(13-17(22)15-20)14-18(23)16-21/h17-18,20-23H,2-16H2,1H3
InChIKey
MVKAHJLPJBMCFN-UHFFFAOYSA-N
Compound name
3-[2,3-dihydroxypropyl(dodecyl)amino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

333.2879 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.29518 191.0
[M+Na]+ 356.27712 190.1
[M-H]- 332.28062 184.7
[M+NH4]+ 351.32172 202.1
[M+K]+ 372.25106 187.7
[M+H-H2O]+ 316.28516 183.8
[M+HCOO]- 378.28610 205.2
[M+CH3COO]- 392.30175 210.9
[M+Na-2H]- 354.26257 186.6
[M]+ 333.28735 194.0
[M]- 333.28845 194.0
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