CID 54595909

2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₀BrNO₂S

SMILES

CN(C)C(C1=CC(=CS1)Br)C(=O)O

InChI

InChI=1S/C8H10BrNO2S/c1-10(2)7(8(11)12)6-3-5(9)4-13-6/h3-4,7H,1-2H3,(H,11,12)

InChIKey

YUTKMLHIAVXIEA-UHFFFAOYSA-N

Compound name

2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.96155 Da
Monoisotopic Mass: -0.3
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]+	263.968826	145.7
[M+Na]+	285.950768	156.6
[M-H]-	261.954274	152.5
[M+NH4]+	280.995373	167.9
[M+K]+	301.924708	146.3
[M+H-H2O]+	245.958810	145.4
[M+HCOO]-	307.959751	162.3
[M+CH3COO]-	321.975401	193.6
[M+Na-2H]-	283.936216	147.0
[M]+	262.96100142	166.4
[M]-	262.96209858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.