CID 102496

3-(dodecylamino)propane-1,2-diol

Structural Information

Molecular Formula
C15H33NO2
SMILES
CCCCCCCCCCCCNCC(CO)O
InChI
InChI=1S/C15H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15(18)14-17/h15-18H,2-14H2,1H3
InChIKey
VWGWFMQZURGKKK-UHFFFAOYSA-N
Compound name
3-(dodecylamino)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

259.25113 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.25841 171.1
[M+Na]+ 282.24035 172.5
[M-H]- 258.24385 166.7
[M+NH4]+ 277.28495 186.2
[M+K]+ 298.21429 169.4
[M+H-H2O]+ 242.24839 164.6
[M+HCOO]- 304.24933 189.3
[M+CH3COO]- 318.26498 198.7
[M+Na-2H]- 280.22580 171.2
[M]+ 259.25058 173.3
[M]- 259.25168 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe