CID 8040

Acetyl peroxide

Structural Information

Molecular Formula
C4H6O4
SMILES
CC(=O)OOC(=O)C
InChI
InChI=1S/C4H6O4/c1-3(5)7-8-4(2)6/h1-2H3
InChIKey
ZQMIGQNCOMNODD-UHFFFAOYSA-N
Compound name
acetyl ethaneperoxoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

50772
Patents

118.02661 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.03389 120.7
[M+Na]+ 141.01583 130.2
[M+NH4]+ 136.06043 127.3
[M+K]+ 156.98977 127.3
[M-H]- 117.01933 118.4
[M+Na-2H]- 139.00128 123.5
[M]+ 118.02606 121.0
[M]- 118.02716 121.0
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