CID 21863597

2-methyl-1-[(2-methylpropyl)peroxy]propane

Structural Information

Molecular Formula
C8H18O2
SMILES
CC(C)COOCC(C)C
InChI
InChI=1S/C8H18O2/c1-7(2)5-9-10-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
TVWBTVJBDFTVOW-UHFFFAOYSA-N
Compound name
2-methyl-1-(2-methylpropylperoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8820
Patents

146.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.137956 134.8
[M+Na]+ 169.119898 140.8
[M-H]- 145.123404 134.9
[M+NH4]+ 164.164503 156.4
[M+K]+ 185.093838 142.0
[M+H-H2O]+ 129.127940 130.1
[M+HCOO]- 191.128881 156.5
[M+CH3COO]- 205.144531 178.9
[M+Na-2H]- 167.105346 138.3
[M]+ 146.13013142 138.5
[M]- 146.13122858 138.5
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