CID 75289

Diperoxysuccinic acid

Structural Information

Molecular Formula
C4H6O6
SMILES
C(CC(=O)OO)C(=O)OO
InChI
InChI=1S/C4H6O6/c5-3(9-7)1-2-4(6)10-8/h7-8H,1-2H2
InChIKey
ADKBGLXGTKOWIU-UHFFFAOYSA-N
Compound name
butanediperoxoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10718
Patents

150.01643 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.023706 125.2
[M+Na]+ 173.005648 132.3
[M-H]- 149.009154 123.0
[M+NH4]+ 168.050253 144.7
[M+K]+ 188.979588 133.4
[M+H-H2O]+ 133.013690 120.7
[M+HCOO]- 195.014631 146.4
[M+CH3COO]- 209.030281 166.7
[M+Na-2H]- 170.991096 129.9
[M]+ 150.01588142 127.7
[M]- 150.01697858 127.7
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