CID 18200

Hydroperoxide, 1-methylethyl

Structural Information

Molecular Formula
C3H8O2
SMILES
CC(C)OO
InChI
InChI=1S/C3H8O2/c1-3(2)5-4/h3-4H,1-2H3
InChIKey
SGJUFIMCHSLMRJ-UHFFFAOYSA-N
Compound name
2-hydroperoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4508
Patents

76.05243 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.059706 111.9
[M+Na]+ 99.041648 119.8
[M-H]- 75.045154 111.4
[M+NH4]+ 94.086253 135.6
[M+K]+ 115.015588 120.9
[M+H-H2O]+ 59.049690 108.3
[M+HCOO]- 121.050631 134.7
[M+CH3COO]- 135.066281 160.2
[M+Na-2H]- 97.027096 118.9
[M]+ 76.05188142 112.4
[M]- 76.05297858 112.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.