CID 16009

Tert-butyl peroxymaleic acid

Structural Information

Molecular Formula
C8H12O5
SMILES
CC(C)(C)OOC(=O)C=CC(=O)O
InChI
InChI=1S/C8H12O5/c1-8(2,3)13-12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)
InChIKey
RQHGZNBWBKINOY-UHFFFAOYSA-N
Compound name
4-tert-butylperoxy-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4609
Patents

188.06847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07575 140.0
[M+Na]+ 211.05769 147.4
[M+NH4]+ 206.10229 144.5
[M+K]+ 227.03163 145.6
[M-H]- 187.06119 135.5
[M+Na-2H]- 209.04314 140.5
[M]+ 188.06792 139.2
[M]- 188.06902 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe