CID 105376

66671-22-5

Structural Information

Molecular Formula
C15H18O4
SMILES
CC(C)(COC(=O)C=C)COC(=O)C1=CC=CC=C1
InChI
InChI=1S/C15H18O4/c1-4-13(16)18-10-15(2,3)11-19-14(17)12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3
InChIKey
MXBCLXAAEYWALK-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3-prop-2-enoyloxypropyl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

448
Patents

262.1205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.127776 160.3
[M+Na]+ 285.109718 166.0
[M-H]- 261.113224 163.4
[M+NH4]+ 280.154323 176.8
[M+K]+ 301.083658 164.4
[M+H-H2O]+ 245.117760 154.0
[M+HCOO]- 307.118701 180.9
[M+CH3COO]- 321.134351 195.5
[M+Na-2H]- 283.095166 163.9
[M]+ 262.11995142 164.3
[M]- 262.12104858 164.3
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