CID 9834945

76062-97-0

Structural Information

Molecular Formula
C15H30O3
SMILES
CCCCCCCCCCC[C@H](CC(=O)OC)O
InChI
InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h14,16H,3-13H2,1-2H3/t14-/m1/s1
InChIKey
UOZZAMWODZQSOA-CQSZACIVSA-N
Compound name
methyl (3R)-3-hydroxytetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

120
Patents

258.21948 Da
Monoisotopic Mass

5.0
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

patents stripe