CID 21591335

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

Structural Information

Molecular Formula
C18H30O3
SMILES
CCCCCCCCC/C=C\C#C/C=C\OC[C@H](CO)O
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-17-18(20)16-19/h10-11,14-15,18-20H,2-9,16-17H2,1H3/b11-10-,15-14-/t18-/m0/s1
InChIKey
DLSPCSIOTSYWBY-FAHJRLEDSA-N
Compound name
(2S)-3-[(1Z,5Z)-pentadeca-1,5-dien-3-ynoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.21948 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22676 172.8
[M+Na]+ 317.20870 177.9
[M-H]- 293.21220 168.5
[M+NH4]+ 312.25330 185.6
[M+K]+ 333.18264 172.7
[M+H-H2O]+ 277.21674 161.0
[M+HCOO]- 339.21768 185.2
[M+CH3COO]- 353.23333 204.9
[M+Na-2H]- 315.19415 171.6
[M]+ 294.21893 170.7
[M]- 294.22003 170.7
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.