CID 172207

68540-62-5

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(C)C1=CC=CC=C1C(C)(C)OOC(C)(C)C
InChI
InChI=1S/C16H26O2/c1-12(2)13-10-8-9-11-14(13)16(6,7)18-17-15(3,4)5/h8-12H,1-7H3
InChIKey
QEMOCCHONHPVPW-UHFFFAOYSA-N
Compound name
1-(2-tert-butylperoxypropan-2-yl)-2-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

395
Patents

250.19328 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 160.8
[M+Na]+ 273.18250 166.9
[M-H]- 249.18600 164.3
[M+NH4]+ 268.22710 178.7
[M+K]+ 289.15644 165.9
[M+H-H2O]+ 233.19054 155.4
[M+HCOO]- 295.19148 179.5
[M+CH3COO]- 309.20713 198.7
[M+Na-2H]- 271.16795 165.2
[M]+ 250.19273 165.0
[M]- 250.19383 165.0
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