CID 92036168

Glyceryl 1-(3-oxohexadecanoate)

Structural Information

Molecular Formula
C19H36O5
SMILES
CCCCCCCCCCCCCC(=O)CC(=O)OCC(CO)O
InChI
InChI=1S/C19H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)14-19(23)24-16-18(22)15-20/h18,20,22H,2-16H2,1H3
InChIKey
OVNAZRUJJKCREE-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 3-oxohexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

344.2563 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.263576 191.7
[M+Na]+ 367.245518 192.3
[M-H]- 343.249024 186.8
[M+NH4]+ 362.290123 203.3
[M+K]+ 383.219458 189.7
[M+H-H2O]+ 327.253560 184.7
[M+HCOO]- 389.254501 206.7
[M+CH3COO]- 403.270151 210.8
[M+Na-2H]- 365.230966 187.2
[M]+ 344.25575142 197.8
[M]- 344.25684858 197.8
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