CID 13580494

Ethyl 5-hydroxydecanoate

Structural Information

Molecular Formula
C12H24O3
SMILES
CCCCCC(CCCC(=O)OCC)O
InChI
InChI=1S/C12H24O3/c1-3-5-6-8-11(13)9-7-10-12(14)15-4-2/h11,13H,3-10H2,1-2H3
InChIKey
JZHPHZPSKLWKPM-UHFFFAOYSA-N
Compound name
ethyl 5-hydroxydecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

167
Patents

216.17255 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17983 155.7
[M+Na]+ 239.16177 159.9
[M-H]- 215.16527 153.7
[M+NH4]+ 234.20637 173.7
[M+K]+ 255.13571 159.0
[M+H-H2O]+ 199.16981 150.2
[M+HCOO]- 261.17075 175.0
[M+CH3COO]- 275.18640 188.6
[M+Na-2H]- 237.14722 156.5
[M]+ 216.17200 159.7
[M]- 216.17310 159.7
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