CID 92033997

3-hexene, 1,1',1''-(ethylidynetris(oxy))tris-, (3z,3'z,3''z)-

Structural Information

Molecular Formula
C20H36O3
SMILES
CC/C=C\CCOC(OCC/C=C\CC)(OCC/C=C\CC)C
InChI
InChI=1S/C20H36O3/c1-5-8-11-14-17-21-20(4,22-18-15-12-9-6-2)23-19-16-13-10-7-3/h8-13H,5-7,14-19H2,1-4H3/b11-8-,12-9-,13-10-
InChIKey
SSXQYJPANSDSBP-LRRVACHLSA-N
Compound name
(Z)-1-[1,1-bis[(Z)-hex-3-enoxy]ethoxy]hex-3-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

62
Patents

324.26645 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.273726 187.5
[M+Na]+ 347.255668 190.5
[M-H]- 323.259174 185.7
[M+NH4]+ 342.300273 202.2
[M+K]+ 363.229608 186.7
[M+H-H2O]+ 307.263710 181.1
[M+HCOO]- 369.264651 206.6
[M+CH3COO]- 383.280301 210.9
[M+Na-2H]- 345.241116 188.1
[M]+ 324.26590142 195.8
[M]- 324.26699858 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe