CID 21591334

(2s,5z,9z)-4-oxa-5,9-octadecadien-7-yne-1,2-diol

Structural Information

Molecular Formula
C17H28O3
SMILES
CCCCCCCC/C=C\C#C/C=C\OC[C@H](CO)O
InChI
InChI=1S/C17H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19)15-18/h9-10,13-14,17-19H,2-8,15-16H2,1H3/b10-9-,14-13-/t17-/m0/s1
InChIKey
BPDWNJUQPWBHGB-MQTLYGHRSA-N
Compound name
(2S)-3-[(1Z,5Z)-tetradeca-1,5-dien-3-ynoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.20386 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.21114 169.1
[M+Na]+ 303.19308 174.4
[M-H]- 279.19658 164.9
[M+NH4]+ 298.23768 182.4
[M+K]+ 319.16702 169.5
[M+H-H2O]+ 263.20112 157.4
[M+HCOO]- 325.20206 181.7
[M+CH3COO]- 339.21771 202.3
[M+Na-2H]- 301.17853 168.2
[M]+ 280.20331 166.6
[M]- 280.20441 166.6
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.