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]+ 267.19548 165.3
[M+Na]+ 289.17742 171.0
[M-H]- 265.18092 161.3
[M+NH4]+ 284.22202 179.1
[M+K]+ 305.15136 166.3
[M+H-H2O]+ 249.18546 153.8
[M+HCOO]- 311.18640 178.2
[M+CH3COO]- 325.20205 199.6
[M+Na-2H]- 287.16287 164.9
[M]+ 266.18765 162.5
[M]- 266.18875 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.