CID 77947

(isopropylidene)bis(tert-butyl) peroxide

Structural Information

Molecular Formula
C11H24O4
SMILES
CC(C)(C)OOC(C)(C)OOC(C)(C)C
InChI
InChI=1S/C11H24O4/c1-9(2,3)12-14-11(7,8)15-13-10(4,5)6/h1-8H3
InChIKey
QSFTWOJPCWPORR-UHFFFAOYSA-N
Compound name
2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1051
Patents

220.16747 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.174746 152.0
[M+Na]+ 243.156688 158.6
[M-H]- 219.160194 152.5
[M+NH4]+ 238.201293 171.1
[M+K]+ 259.130628 160.4
[M+H-H2O]+ 203.164730 148.3
[M+HCOO]- 265.165671 170.5
[M+CH3COO]- 279.181321 190.4
[M+Na-2H]- 241.142136 159.5
[M]+ 220.16692142 159.5
[M]- 220.16801858 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe