CID 4131251

4-(methylseleno)butyric acid

Structural Information

Molecular Formula

C₅H₁₀O₂Se

SMILES

C[Se]CCCC(=O)O

InChI

InChI=1S/C5H10O2Se/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7)

InChIKey

USILQXVRRGEHFP-UHFFFAOYSA-N

Compound name

4-methylselanylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 181.9846 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]+	182.99188	136.8
[M+Na]+	204.97382	143.2
[M-H]-	180.97732	135.3
[M+NH4]+	200.01842	158.2
[M+K]+	220.94776	142.6
[M+H-H2O]+	164.98186	132.0
[M+HCOO]-	226.98280	158.1
[M+CH3COO]-	240.99845	170.6
[M+Na-2H]-	202.95927	140.9
[M]+	181.98405	137.8
[M]-	181.98515	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe