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

9
Annotation Hits: 1719
References: 58499
Patents: 76.016045 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	77.023321	109.6
[M+Na]+	99.005263	119.8
[M+NH4]+	94.049868	117.2
[M+K]+	114.97920	116.4
[M-H]-	75.008769	107.9
[M+Na-2H]-	96.990711	113.3
[M]+	76.015496	110.2
[M]-	76.016594	110.2

Literature stripe

literature stripe

Patent stripe

patents stripe