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]+ 259.22676 169.5
[M+Na]+ 281.20870 172.5
[M-H]- 257.21220 166.9
[M+NH4]+ 276.25330 185.8
[M+K]+ 297.18264 170.7
[M+H-H2O]+ 241.21674 163.4
[M+HCOO]- 303.21768 187.8
[M+CH3COO]- 317.23333 197.6
[M+Na-2H]- 279.19415 168.7
[M]+ 258.21893 174.6
[M]- 258.22003 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.