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
3
Annotation Hits

0
References

4720
Patents

188.06847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.075746 138.3
[M+Na]+ 211.057688 145.3
[M-H]- 187.061194 137.4
[M+NH4]+ 206.102293 157.4
[M+K]+ 227.031628 145.6
[M+H-H2O]+ 171.065730 134.2
[M+HCOO]- 233.066671 158.4
[M+CH3COO]- 247.082321 177.8
[M+Na-2H]- 209.043136 142.5
[M]+ 188.06792142 141.7
[M]- 188.06901858 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