CID 5463954

26446-31-1

Structural Information

Molecular Formula
C13H26O5
SMILES
CCCCCC(CCCC(=O)OCC(CO)O)O
InChI
InChI=1S/C13H26O5/c1-2-3-4-6-11(15)7-5-8-13(17)18-10-12(16)9-14/h11-12,14-16H,2-10H2,1H3
InChIKey
ILJDYMFZBMWGGZ-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 5-hydroxydecanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

147
Patents

262.178 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18528 166.8
[M+Na]+ 285.16722 169.2
[M-H]- 261.17072 161.5
[M+NH4]+ 280.21182 181.1
[M+K]+ 301.14116 167.8
[M+H-H2O]+ 245.17526 161.0
[M+HCOO]- 307.17620 182.1
[M+CH3COO]- 321.19185 191.5
[M+Na-2H]- 283.15267 164.7
[M]+ 262.17745 169.4
[M]- 262.17855 169.4
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