CID 90081

23383-59-7

Structural Information

Molecular Formula
C14H20O3
SMILES
CC(C)(C)C(=O)OOC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C14H20O3/c1-13(2,3)12(15)16-17-14(4,5)11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKey
MHJFWPOZAIOCQL-UHFFFAOYSA-N
Compound name
2-phenylpropan-2-yl 2,2-dimethylpropaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

506
Patents

236.14125 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 155.1
[M+Na]+ 259.13047 165.8
[M+NH4]+ 254.17507 162.0
[M+K]+ 275.10441 161.4
[M-H]- 235.13397 155.2
[M+Na-2H]- 257.11592 160.7
[M]+ 236.14070 156.7
[M]- 236.14180 156.7
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