CID 21591333

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

Structural Information

Molecular Formula
C16H26O3
SMILES
CCCCCCC/C=C\C#C/C=C\OC[C@H](CO)O
InChI
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17/h8-9,12-13,16-18H,2-7,14-15H2,1H3/b9-8-,13-12-/t16-/m0/s1
InChIKey
GTUVAFBOEGIOIW-BJQMMIFBSA-N
Compound name
(2S)-3-[(1Z,5Z)-trideca-1,5-dien-3-ynoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.195476 165.3
[M+Na]+ 289.177418 171.0
[M-H]- 265.180924 161.3
[M+NH4]+ 284.222023 179.1
[M+K]+ 305.151358 166.3
[M+H-H2O]+ 249.185460 153.8
[M+HCOO]- 311.186401 178.2
[M+CH3COO]- 325.202051 199.6
[M+Na-2H]- 287.162866 164.9
[M]+ 266.18765142 162.5
[M]- 266.18874858 162.5
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.