CID 16009

Tert-butyl peroxymaleate, (technically pure)

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

4627
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 138.3
[M+Na]+ 211.05769 145.3
[M-H]- 187.06119 137.4
[M+NH4]+ 206.10229 157.4
[M+K]+ 227.03163 145.6
[M+H-H2O]+ 171.06573 134.2
[M+HCOO]- 233.06667 158.4
[M+CH3COO]- 247.08232 177.8
[M+Na-2H]- 209.04314 142.5
[M]+ 188.06792 141.7
[M]- 188.06902 141.7
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