CID 10879475

1-(2-tert-butylperoxypropan-2-yl)-3-prop-1-en-2-ylbenzene

Structural Information

Molecular Formula
C16H24O2
SMILES
CC(=C)C1=CC(=CC=C1)C(C)(C)OOC(C)(C)C
InChI
InChI=1S/C16H24O2/c1-12(2)13-9-8-10-14(11-13)16(6,7)18-17-15(3,4)5/h8-11H,1H2,2-7H3
InChIKey
UPJJAYDKTWNELO-UHFFFAOYSA-N
Compound name
1-(2-tert-butylperoxypropan-2-yl)-3-prop-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

248.17763 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 159.2
[M+Na]+ 271.16685 165.6
[M-H]- 247.17035 162.7
[M+NH4]+ 266.21145 177.0
[M+K]+ 287.14079 163.9
[M+H-H2O]+ 231.17489 153.9
[M+HCOO]- 293.17583 178.0
[M+CH3COO]- 307.19148 197.7
[M+Na-2H]- 269.15230 163.6
[M]+ 248.17708 162.7
[M]- 248.17818 162.7
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