CID 6585

Peracetic acid

Structural Information

Molecular Formula
C2H4O3
SMILES
CC(=O)OO
InChI
InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3
InChIKey
KFSLWBXXFJQRDL-UHFFFAOYSA-N
Compound name
ethaneperoxoic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

1747
References

112797
Patents

76.016045 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.023321 108.7
[M+Na]+ 99.005263 117.3
[M-H]- 75.008769 108.4
[M+NH4]+ 94.049868 132.3
[M+K]+ 114.97920 118.5
[M+H-H2O]+ 59.013305 105.1
[M+HCOO]- 121.01425 132.3
[M+CH3COO]- 135.02990 157.5
[M+Na-2H]- 96.990711 116.2
[M]+ 76.015496 109.5
[M]- 76.016594 109.5
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

No patent data available for this compound.