CID 101533769

Methyl 10-hydroxytetradecanoate

Structural Information

Molecular Formula
C15H30O3
SMILES
CCCCC(CCCCCCCCC(=O)OC)O
InChI
InChI=1S/C15H30O3/c1-3-4-11-14(16)12-9-7-5-6-8-10-13-15(17)18-2/h14,16H,3-13H2,1-2H3
InChIKey
XWWWWMGJQNMRKX-UHFFFAOYSA-N
Compound name
methyl 10-hydroxytetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

258.21948 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.226756 169.5
[M+Na]+ 281.208698 172.5
[M-H]- 257.212204 166.9
[M+NH4]+ 276.253303 185.8
[M+K]+ 297.182638 170.7
[M+H-H2O]+ 241.216740 163.4
[M+HCOO]- 303.217681 187.8
[M+CH3COO]- 317.233331 197.6
[M+Na-2H]- 279.194146 168.7
[M]+ 258.21893142 174.6
[M]- 258.22002858 174.6
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

No patent data available for this compound.