CID 152222

1,2-dihexanoylglycerol

Structural Information

Molecular Formula
C15H28O5
SMILES
CCCCCC(=O)OCC(CO)OC(=O)CCCCC
InChI
InChI=1S/C15H28O5/c1-3-5-7-9-14(17)19-12-13(11-16)20-15(18)10-8-6-4-2/h13,16H,3-12H2,1-2H3
InChIKey
DRUFTGMQJWWIOL-UHFFFAOYSA-N
Compound name
(2-hexanoyloxy-3-hydroxypropyl) hexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

206
Patents

288.19366 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20094 171.6
[M+Na]+ 311.18288 177.5
[M+NH4]+ 306.22748 175.3
[M+K]+ 327.15682 173.7
[M-H]- 287.18638 167.5
[M+Na-2H]- 309.16833 170.2
[M]+ 288.19311 170.6
[M]- 288.19421 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe