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
2
Annotation Hits

0
References

11
Patents

333.2879 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.295176 191.0
[M+Na]+ 356.277118 190.1
[M-H]- 332.280624 184.7
[M+NH4]+ 351.321723 202.1
[M+K]+ 372.251058 187.7
[M+H-H2O]+ 316.285160 183.8
[M+HCOO]- 378.286101 205.2
[M+CH3COO]- 392.301751 210.9
[M+Na-2H]- 354.262566 186.6
[M]+ 333.28735142 194.0
[M]- 333.28844858 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