CID 61238

Tert-butyl peroxypivalate

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(C)(C)C(=O)OOC(C)(C)C
InChI
InChI=1S/C9H18O3/c1-8(2,3)7(10)11-12-9(4,5)6/h1-6H3
InChIKey
OPQYOFWUFGEMRZ-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-dimethylpropaneperoxoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

47062
Patents

174.1256 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 138.8
[M+Na]+ 197.11482 146.1
[M-H]- 173.11832 139.5
[M+NH4]+ 192.15942 159.8
[M+K]+ 213.08876 147.3
[M+H-H2O]+ 157.12286 135.3
[M+HCOO]- 219.12380 158.7
[M+CH3COO]- 233.13945 180.9
[M+Na-2H]- 195.10027 145.0
[M]+ 174.12505 143.2
[M]- 174.12615 143.2
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