CID 9905161

Dermosoft dgmc

Structural Information

Molecular Formula
C16H32O6
SMILES
CCCCCCCCCC(=O)OCC(COCC(CO)O)O
InChI
InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-16(20)22-13-15(19)12-21-11-14(18)10-17/h14-15,17-19H,2-13H2,1H3
InChIKey
CFTCNYXCIMEQQS-UHFFFAOYSA-N
Compound name
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] decanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

405
Patents

320.21988 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.22716 180.1
[M+Na]+ 343.20910 184.0
[M+NH4]+ 338.25370 182.5
[M+K]+ 359.18304 181.3
[M-H]- 319.21260 174.5
[M+Na-2H]- 341.19455 176.8
[M]+ 320.21933 178.3
[M]- 320.22043 178.3
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