CID 75811

2,2-dihydroperoxybutane

Structural Information

Molecular Formula
C4H10O4
SMILES
CCC(C)(OO)OO
InChI
InChI=1S/C4H10O4/c1-3-4(2,7-5)8-6/h5-6H,3H2,1-2H3
InChIKey
GIHSGBFMYFAEDX-UHFFFAOYSA-N
Compound name
2,2-dihydroperoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

122.05791 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.065186 122.6
[M+Na]+ 145.047128 130.2
[M-H]- 121.050634 120.6
[M+NH4]+ 140.091733 143.8
[M+K]+ 161.021068 130.9
[M+H-H2O]+ 105.055170 119.1
[M+HCOO]- 167.056111 143.5
[M+CH3COO]- 181.071761 164.1
[M+Na-2H]- 143.032576 130.5
[M]+ 122.05736142 124.7
[M]- 122.05845858 124.7
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