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

61
Patents

324.26645 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.27373 187.5
[M+Na]+ 347.25567 190.5
[M-H]- 323.25917 185.7
[M+NH4]+ 342.30027 202.2
[M+K]+ 363.22961 186.7
[M+H-H2O]+ 307.26371 181.1
[M+HCOO]- 369.26465 206.6
[M+CH3COO]- 383.28030 210.9
[M+Na-2H]- 345.24112 188.1
[M]+ 324.26590 195.8
[M]- 324.26700 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