CID 77040

Monoperoxysuccinic acid

Structural Information

Molecular Formula
C4H6O5
SMILES
C(CC(=O)OO)C(=O)O
InChI
InChI=1S/C4H6O5/c5-3(6)1-2-4(7)9-8/h8H,1-2H2,(H,5,6)
InChIKey
WBOQHFMXKCEWSQ-UHFFFAOYSA-N
Compound name
4-hydroperoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1744
Patents

134.02153 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.028806 122.8
[M+Na]+ 157.010748 130.0
[M-H]- 133.014254 120.6
[M+NH4]+ 152.055353 143.0
[M+K]+ 172.984688 130.5
[M+H-H2O]+ 117.018790 118.5
[M+HCOO]- 179.019731 143.8
[M+CH3COO]- 193.035381 165.2
[M+Na-2H]- 154.996196 127.4
[M]+ 134.02098142 124.0
[M]- 134.02207858 124.0
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