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: 483
Patents: 262.1205 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	263.12778	160.6
[M+Na]+	285.10972	170.6
[M+NH4]+	280.15432	166.2
[M+K]+	301.08366	165.9
[M-H]-	261.11322	159.9
[M+Na-2H]-	283.09517	164.9
[M]+	262.11995	161.6
[M]-	262.12105	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe