CID 21074

Diethylarsinic acid

Structural Information

Molecular Formula

C₄H₁₁AsO₂

SMILES

CC[As](=O)(CC)O

InChI

InChI=1S/C4H11AsO2/c1-3-5(6,7)4-2/h3-4H2,1-2H3,(H,6,7)

InChIKey

JJABJBOSZVTCOY-UHFFFAOYSA-N

Compound name

diethylarsinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 165.9975 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]+	167.00478	128.7
[M+Na]+	188.98672	138.5
[M+NH4]+	184.03132	136.0
[M+K]+	204.96066	133.8
[M-H]-	164.99022	126.8
[M+Na-2H]-	186.97217	131.7
[M]+	165.99695	129.3
[M]-	165.99805	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe