CID 6629

Cumene hydroperoxide

Structural Information

Molecular Formula
C9H12O2
SMILES
CC(C)(C1=CC=CC=C1)OO
InChI
InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKey
YQHLDYVWEZKEOX-UHFFFAOYSA-N
Compound name
2-hydroperoxypropan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

926
References

96179
Patents

152.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 131.0
[M+Na]+ 175.07294 138.4
[M-H]- 151.07644 133.5
[M+NH4]+ 170.11754 151.6
[M+K]+ 191.04688 137.1
[M+H-H2O]+ 135.08098 126.2
[M+HCOO]- 197.08192 153.0
[M+CH3COO]- 211.09757 173.0
[M+Na-2H]- 173.05839 139.5
[M]+ 152.08317 131.5
[M]- 152.08427 131.5
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

No patent data available for this compound.