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
3
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 182.2
[M+Na]+ 343.20910 183.3
[M-H]- 319.21260 176.4
[M+NH4]+ 338.25370 194.1
[M+K]+ 359.18304 181.8
[M+H-H2O]+ 303.21714 175.6
[M+HCOO]- 365.21808 196.8
[M+CH3COO]- 379.23373 202.5
[M+Na-2H]- 341.19455 178.9
[M]+ 320.21933 187.5
[M]- 320.22043 187.5
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