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
3
Annotation Hits

0
References

667
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 202.3
[M+Na]+ 397.29244 201.3
[M-H]- 373.29594 195.5
[M+NH4]+ 392.33704 201.7
[M+K]+ 413.26638 198.1
[M+H-H2O]+ 357.30048 195.1
[M+HCOO]- 419.30142 207.6
[M+CH3COO]- 433.31707 215.0
[M+Na-2H]- 395.27789 196.2
[M]+ 374.30267 207.9
[M]- 374.30377 207.9
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