CID 8948

Methylarsonic acid

Structural Information

Molecular Formula

SMILES

C[As](=O)(O)O

InChI

InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)

InChIKey

QYPPRTNMGCREIM-UHFFFAOYSA-N

Compound name

methylarsonic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 433
References: 23487
Patents: 139.94547 Da
Monoisotopic Mass: None
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]+	140.95275	121.2
[M+Na]+	162.93469	129.5
[M-H]-	138.93819	119.1
[M+NH4]+	157.97929	143.5
[M+K]+	178.90863	129.2
[M+H-H2O]+	122.94273	117.7
[M+HCOO]-	184.94367	142.0
[M+CH3COO]-	198.95932	157.2
[M+Na-2H]-	160.92014	128.8
[M]+	139.94492	120.3
[M]-	139.94602	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe