CID 107036

Einecs 268-085-9

Structural Information

Molecular Formula
C20H40O4
SMILES
CCCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h19,21-22H,2-18H2,1H3
InChIKey
SVUQHVRAGMNPLW-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl heptadecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

8733
Patents

344.29266 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.29994 194.8
[M+Na]+ 367.28188 195.1
[M-H]- 343.28538 189.7
[M+NH4]+ 362.32648 206.7
[M+K]+ 383.25582 191.7
[M+H-H2O]+ 327.28992 187.7
[M+HCOO]- 389.29086 210.1
[M+CH3COO]- 403.30651 211.8
[M+Na-2H]- 365.26733 190.9
[M]+ 344.29211 201.3
[M]- 344.29321 201.3
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

No patent data available for this compound.