CID 102606

1323-42-8

Structural Information

Molecular Formula
C21H42O5
SMILES
CCCCCCCCCCCCCCCCC(C(=O)OC(CO)CO)O
InChI
InChI=1S/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)21(25)26-19(17-22)18-23/h19-20,22-24H,2-18H2,1H3
InChIKey
YIDBZTKQBSDQDX-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl 2-hydroxyoctadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

450
Patents

374.30322 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.31050 199.0
[M+Na]+ 397.29244 202.5
[M+NH4]+ 392.33704 208.5
[M+K]+ 413.26638 198.0
[M-H]- 373.29594 193.8
[M+Na-2H]- 395.27789 194.9
[M]+ 374.30267 197.3
[M]- 374.30377 197.3
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