CID 73855

Pentaerythritol tetraallyl ether

Structural Information

Molecular Formula
C17H28O4
SMILES
C=CCOCC(COCC=C)(COCC=C)COCC=C
InChI
InChI=1S/C17H28O4/c1-5-9-18-13-17(14-19-10-6-2,15-20-11-7-3)16-21-12-8-4/h5-8H,1-4,9-16H2
InChIKey
TYMYJUHDFROXOO-UHFFFAOYSA-N
Compound name
1,3-bis(prop-2-enoxy)-2,2-bis(prop-2-enoxymethyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4130
Patents

296.19876 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20604 174.3
[M+Na]+ 319.18798 178.4
[M-H]- 295.19148 172.8
[M+NH4]+ 314.23258 189.6
[M+K]+ 335.16192 175.2
[M+H-H2O]+ 279.19602 168.1
[M+HCOO]- 341.19696 194.7
[M+CH3COO]- 355.21261 205.0
[M+Na-2H]- 317.17343 176.6
[M]+ 296.19821 182.4
[M]- 296.19931 182.4
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

patents stripe