CID 6410

Tert-butyl hydroperoxide

Structural Information

Molecular Formula

C₄H₁₀O₂

SMILES

CC(C)(C)OO

InChI

InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3

InChIKey

CIHOLLKRGTVIJN-UHFFFAOYSA-N

Compound name

2-hydroperoxy-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 3157
References: 25263
Patents: 90.06808 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	91.075356	115.9
[M+Na]+	113.05730	126.1
[M+NH4]+	108.10190	123.9
[M+K]+	129.03124	122.2
[M-H]-	89.060804	114.5
[M+Na-2H]-	111.04275	120.0
[M]+	90.067531	116.8
[M]-	90.068629	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe