CID 60989

1-(4-isopropylphenyl)-1-methylethyl hydroperoxide

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(C)C1=CC=C(C=C1)C(C)(C)OO
InChI
InChI=1S/C12H18O2/c1-9(2)10-5-7-11(8-6-10)12(3,4)14-13/h5-9,13H,1-4H3
InChIKey
HWCBEGMIBCYKST-UHFFFAOYSA-N
Compound name
1-(2-hydroperoxypropan-2-yl)-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

194.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.0
[M+Na]+ 217.11990 150.9
[M-H]- 193.12340 146.5
[M+NH4]+ 212.16450 163.2
[M+K]+ 233.09384 149.4
[M+H-H2O]+ 177.12794 139.0
[M+HCOO]- 239.12888 164.1
[M+CH3COO]- 253.14453 184.1
[M+Na-2H]- 215.10535 149.0
[M]+ 194.13013 145.4
[M]- 194.13123 145.4
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