CID 24258980

1007878-92-3

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CN(C)C(C1=CC=CC=C1Cl)C(=O)O

InChI

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

InChIKey

LIXFURHZDYVNLV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
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]+	214.06293	143.7
[M+Na]+	236.04487	151.0
[M-H]-	212.04837	147.5
[M+NH4]+	231.08947	162.9
[M+K]+	252.01881	148.7
[M+H-H2O]+	196.05291	138.7
[M+HCOO]-	258.05385	162.2
[M+CH3COO]-	272.06950	189.9
[M+Na-2H]-	234.03032	146.8
[M]+	213.05510	146.0
[M]-	213.05620	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe