CID 137910

Glyceryl 2-caprate

Structural Information

Molecular Formula
C13H26O4
SMILES
CCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-12(10-14)11-15/h12,14-15H,2-11H2,1H3
InChIKey
IYVVKFYDGRJWTR-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1124
Patents

246.1831 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.190376 163.5
[M+Na]+ 269.172318 166.7
[M-H]- 245.175824 159.7
[M+NH4]+ 264.216923 179.4
[M+K]+ 285.146258 165.1
[M+H-H2O]+ 229.180360 157.7
[M+HCOO]- 291.181301 181.1
[M+CH3COO]- 305.196951 191.0
[M+Na-2H]- 267.157766 163.3
[M]+ 246.18255142 167.3
[M]- 246.18364858 167.3
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.