CID 92926

2,3-dihydroxypropyl decanoate

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

52
References

18683
Patents

246.1831 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.19038 163.5
[M+Na]+ 269.17232 166.7
[M-H]- 245.17582 159.7
[M+NH4]+ 264.21692 179.4
[M+K]+ 285.14626 165.1
[M+H-H2O]+ 229.18036 157.7
[M+HCOO]- 291.18130 181.1
[M+CH3COO]- 305.19695 191.0
[M+Na-2H]- 267.15777 163.3
[M]+ 246.18255 167.3
[M]- 246.18365 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

literature stripe

Patent stripe

patents stripe