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 154.6
[M+Na]+ 259.13047 160.9
[M-H]- 235.13397 158.2
[M+NH4]+ 254.17507 172.6
[M+K]+ 275.10441 160.3
[M+H-H2O]+ 219.13851 149.2
[M+HCOO]- 281.13945 174.4
[M+CH3COO]- 295.15510 191.9
[M+Na-2H]- 257.11592 160.8
[M]+ 236.14070 158.4
[M]- 236.14180 158.4
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