CID 13955027

Diallyl pentaerythritol

Structural Information

Molecular Formula
C11H20O4
SMILES
C=CCOCC(CO)(CO)COCC=C
InChI
InChI=1S/C11H20O4/c1-3-5-14-9-11(7-12,8-13)10-15-6-4-2/h3-4,12-13H,1-2,5-10H2
InChIKey
JHSWSKVODYPNDV-UHFFFAOYSA-N
Compound name
2,2-bis(prop-2-enoxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4494
Patents

216.13615 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.143426 151.7
[M+Na]+ 239.125368 156.9
[M-H]- 215.128874 148.5
[M+NH4]+ 234.169973 169.0
[M+K]+ 255.099308 154.6
[M+H-H2O]+ 199.133410 147.0
[M+HCOO]- 261.134351 170.7
[M+CH3COO]- 275.150001 183.5
[M+Na-2H]- 237.110816 156.0
[M]+ 216.13560142 155.1
[M]- 216.13669858 155.1
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