CID 2513

Cacodylic acid

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)

InChIKey

OGGXGZAMXPVRFZ-UHFFFAOYSA-N

Compound name

dimethylarsinic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 856
References: 64911
Patents: 137.9662 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]+	138.97348	121.8
[M+Na]+	160.95542	130.2
[M-H]-	136.95892	121.1
[M+NH4]+	156.00002	145.1
[M+K]+	176.92936	130.3
[M+H-H2O]+	120.96346	118.3
[M+HCOO]-	182.96440	143.6
[M+CH3COO]-	196.98005	160.8
[M+Na-2H]-	158.94087	129.6
[M]+	137.96565	121.9
[M]-	137.96675	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe