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: 467
Patents: 250.19328 Da
Monoisotopic Mass: 4.3
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]+	251.200556	160.8
[M+Na]+	273.182498	166.9
[M-H]-	249.186004	164.3
[M+NH4]+	268.227103	178.7
[M+K]+	289.156438	165.9
[M+H-H2O]+	233.190540	155.4
[M+HCOO]-	295.191481	179.5
[M+CH3COO]-	309.207131	198.7
[M+Na-2H]-	271.167946	165.2
[M]+	250.19273142	165.0
[M]-	250.19382858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe