CID 15908632

2,2-dihydroperoxypropane

Structural Information

Molecular Formula
C3H8O4
SMILES
CC(C)(OO)OO
InChI
InChI=1S/C3H8O4/c1-3(2,6-4)7-5/h4-5H,1-2H3
InChIKey
XJHMOGCOFPLTNG-UHFFFAOYSA-N
Compound name
2,2-dihydroperoxypropane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

116
Patents

108.04226 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.04954 118.0
[M+Na]+ 131.03148 125.9
[M-H]- 107.03498 116.1
[M+NH4]+ 126.07608 139.7
[M+K]+ 147.00542 126.9
[M+H-H2O]+ 91.039520 114.6
[M+HCOO]- 153.04046 139.1
[M+CH3COO]- 167.05611 161.1
[M+Na-2H]- 129.01693 126.4
[M]+ 108.04171 119.7
[M]- 108.04281 119.7
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