CID 267079

1-butanearsonic acid

Structural Information

Molecular Formula

C₄H₁₁AsO₃

SMILES

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

InChI

InChI=1S/C4H11AsO3/c1-2-3-4-5(6,7)8/h2-4H2,1H3,(H2,6,7,8)

InChIKey

UPDHOTIATMFGCI-UHFFFAOYSA-N

Compound name

butylarsonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 181.99242 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]+	182.99970	135.1
[M+Na]+	204.98164	142.2
[M-H]-	180.98514	132.5
[M+NH4]+	200.02624	155.8
[M+K]+	220.95558	141.2
[M+H-H2O]+	164.98968	131.1
[M+HCOO]-	226.99062	154.9
[M+CH3COO]-	241.00627	166.3
[M+Na-2H]-	202.96709	141.2
[M]+	181.99187	135.4
[M]-	181.99297	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe