CID 73242181

2s-hydroxy-3-(10z-tetradecenoyloxy)-propanoic acid

Structural Information

Molecular Formula
C17H30O5
SMILES
CCC/C=C\CCCCCCCCC(=O)OC[C@@H](C(=O)O)O
InChI
InChI=1S/C17H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)22-14-15(18)17(20)21/h4-5,15,18H,2-3,6-14H2,1H3,(H,20,21)/b5-4-/t15-/m0/s1
InChIKey
LIMKXIDXBKHPRU-XVWMLYKFSA-N
Compound name
(2S)-2-hydroxy-3-[(Z)-tetradec-10-enoyl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.20932 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.21660 181.3
[M+Na]+ 337.19854 183.2
[M-H]- 313.20204 176.9
[M+NH4]+ 332.24314 194.2
[M+K]+ 353.17248 180.5
[M+H-H2O]+ 297.20658 174.8
[M+HCOO]- 359.20752 197.2
[M+CH3COO]- 373.22317 203.5
[M+Na-2H]- 335.18399 177.9
[M]+ 314.20877 185.9
[M]- 314.20987 185.9
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.