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

503
Patents

262.1205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12778 160.3
[M+Na]+ 285.10972 166.0
[M-H]- 261.11322 163.4
[M+NH4]+ 280.15432 176.8
[M+K]+ 301.08366 164.4
[M+H-H2O]+ 245.11776 154.0
[M+HCOO]- 307.11870 180.9
[M+CH3COO]- 321.13435 195.5
[M+Na-2H]- 283.09517 163.9
[M]+ 262.11995 164.3
[M]- 262.12105 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