CID 24258981

2-(3-chlorophenyl)-2-(dimethylamino)acetic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CN(C)C(C1=CC(=CC=C1)Cl)C(=O)O

InChI

InChI=1S/C10H12ClNO2/c1-12(2)9(10(13)14)7-4-3-5-8(11)6-7/h3-6,9H,1-2H3,(H,13,14)

InChIKey

RQFSLMYOSSZFQY-UHFFFAOYSA-N

Compound name

2-(3-chlorophenyl)-2-(dimethylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 213.05565 Da
Monoisotopic Mass: -0.1
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]+	214.062926	143.7
[M+Na]+	236.044868	151.0
[M-H]-	212.048374	147.5
[M+NH4]+	231.089473	162.9
[M+K]+	252.018808	148.7
[M+H-H2O]+	196.052910	138.7
[M+HCOO]-	258.053851	162.2
[M+CH3COO]-	272.069501	189.9
[M+Na-2H]-	234.030316	146.8
[M]+	213.05510142	146.0
[M]-	213.05619858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe