CID 46845

Tl 1503

Structural Information

Molecular Formula

C₁₁H₁₈AsO

SMILES

CC[As+](C)(CC)C1=CC=CC(=C1)O

InChI

InChI=1S/C11H17AsO/c1-4-12(3,5-2)10-7-6-8-11(13)9-10/h6-9H,4-5H2,1-3H3/p+1

InChIKey

CDKWYWWTVODGPA-UHFFFAOYSA-O

Compound name

diethyl-(3-hydroxyphenyl)-methylarsanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.05736 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]+	242.06464	148.3
[M+Na]+	264.04658	162.7
[M+NH4]+	259.09118	158.0
[M+K]+	280.02052	156.3
[M-H]-	240.05008	151.8
[M+Na-2H]-	262.03203	155.6
[M]+	241.05681	151.9
[M]-	241.05791	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.