CID 52503

Butyl(isopropyl)arsinic acid

Structural Information

Molecular Formula

C₇H₁₇AsO₂

SMILES

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

InChI

InChI=1S/C7H17AsO2/c1-4-5-6-8(9,10)7(2)3/h7H,4-6H2,1-3H3,(H,9,10)

InChIKey

ARNWQHVUNQRVCD-UHFFFAOYSA-N

Compound name

butyl(propan-2-yl)arsinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.04445 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]+	209.05173	145.1
[M+Na]+	231.03367	151.2
[M-H]-	207.03717	143.6
[M+NH4]+	226.07827	165.6
[M+K]+	247.00761	150.4
[M+H-H2O]+	191.04171	140.7
[M+HCOO]-	253.04265	164.3
[M+CH3COO]-	267.05830	176.9
[M+Na-2H]-	229.01912	148.9
[M]+	208.04390	146.4
[M]-	208.04500	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe