CID 73556671

Ethanone, 1-[[1-[(1,1-dimethylethyl)dioxy]-1-methylethyl]phenyl]-

Structural Information

Molecular Formula
C15H22O3
SMILES
CC(=O)C1=CC(=CC=C1)C(C)(C)OOC(C)(C)C
InChI
InChI=1S/C15H22O3/c1-11(16)12-8-7-9-13(10-12)15(5,6)18-17-14(2,3)4/h7-10H,1-6H3
InChIKey
PLIABLDEXXVXDH-UHFFFAOYSA-N
Compound name
1-[3-(2-tert-butylperoxypropan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.15689 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 159.0
[M+Na]+ 273.14611 169.8
[M+NH4]+ 268.19071 165.7
[M+K]+ 289.12005 165.4
[M-H]- 249.14961 159.0
[M+Na-2H]- 271.13156 164.1
[M]+ 250.15634 160.6
[M]- 250.15744 160.6
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