CID 88523

2-ethylperoxy-2-methylpropane

Structural Information

Molecular Formula
C6H14O2
SMILES
CCOOC(C)(C)C
InChI
InChI=1S/C6H14O2/c1-5-7-8-6(2,3)4/h5H2,1-4H3
InChIKey
GOKFBDXJQGPRML-UHFFFAOYSA-N
Compound name
2-ethylperoxy-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

118.09938 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.10666 124.3
[M+Na]+ 141.08860 134.7
[M+NH4]+ 136.13320 132.4
[M+K]+ 157.06254 130.0
[M-H]- 117.09210 123.4
[M+Na-2H]- 139.07405 128.5
[M]+ 118.09883 125.4
[M]- 118.09993 125.4
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