CID 21591331

(2s)-3-[(1z,5z)-16-hydroxyhexadeca-1,5-dien-3-ynoxy]propane-1,2-diol

Structural Information

Molecular Formula
C19H32O4
SMILES
C(CCCCCO)CCCC/C=C\C#C/C=C\OC[C@H](CO)O
InChI
InChI=1S/C19H32O4/c20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23-18-19(22)17-21/h6,8,14,16,19-22H,1-5,7,9,11,13,15,17-18H2/b8-6-,16-14-/t19-/m0/s1
InChIKey
PWEKCZHKMCHXSQ-MKWQSKJTSA-N
Compound name
(2S)-3-[(1Z,5Z)-16-hydroxyhexadeca-1,5-dien-3-ynoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.23007 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.23735 179.6
[M+Na]+ 347.21929 183.7
[M-H]- 323.22279 173.8
[M+NH4]+ 342.26389 190.6
[M+K]+ 363.19323 178.2
[M+H-H2O]+ 307.22733 167.6
[M+HCOO]- 369.22827 190.5
[M+CH3COO]- 383.24392 207.2
[M+Na-2H]- 345.20474 177.5
[M]+ 324.22952 177.4
[M]- 324.23062 177.4
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.