CID 70325

P-methoxyperbenzoic acid

Structural Information

Molecular Formula

C₈H₈O₄

SMILES

COC1=CC=C(C=C1)C(=O)OO

InChI

InChI=1S/C8H8O4/c1-11-7-4-2-6(3-5-7)8(9)12-10/h2-5,10H,1H3

InChIKey

IAPQCQCJCOIPGG-UHFFFAOYSA-N

Compound name

4-methoxybenzenecarboperoxoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 256
Patents: 168.04225 Da
Monoisotopic Mass: 1.8
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]+	169.049526	130.7
[M+Na]+	191.031468	139.0
[M-H]-	167.034974	133.5
[M+NH4]+	186.076073	150.6
[M+K]+	207.005408	138.5
[M+H-H2O]+	151.039510	125.3
[M+HCOO]-	213.040451	154.3
[M+CH3COO]-	227.056101	174.2
[M+Na-2H]-	189.016916	137.1
[M]+	168.04170142	133.2
[M]-	168.04279858	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe