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

literature stripe

Patent stripe

patents stripe