CID 15978920

Unii-9v6ey92xb5

Structural Information

Molecular Formula
C18H36O6
SMILES
CCCCCCCCCCCC(=O)OCC(COCC(CO)O)O
InChI
InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-18(22)24-15-17(21)14-23-13-16(20)12-19/h16-17,19-21H,2-15H2,1H3
InChIKey
OGELJRHPEZALCC-UHFFFAOYSA-N
Compound name
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1374
Patents

348.2512 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.25848 191.1
[M+Na]+ 371.24042 191.3
[M-H]- 347.24392 184.9
[M+NH4]+ 366.28502 194.1
[M+K]+ 387.21436 189.3
[M+H-H2O]+ 331.24846 184.1
[M+HCOO]- 393.24940 205.0
[M+CH3COO]- 407.26505 208.3
[M+Na-2H]- 369.22587 186.7
[M]+ 348.25065 197.1
[M]- 348.25175 197.1
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