CID 152203

17078-28-3

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

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

InChI

InChI=1S/C10H13NO2/c1-11(2)9-5-3-8(4-6-9)7-10(12)13/h3-6H,7H2,1-2H3,(H,12,13)

InChIKey

KQGHTOZUPICELS-UHFFFAOYSA-N

Compound name

2-[4-(dimethylamino)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 2753
Patents: 179.09464 Da
Monoisotopic Mass: 1.7
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]+	180.10192	138.6
[M+Na]+	202.08386	149.9
[M+NH4]+	197.12846	146.5
[M+K]+	218.05780	144.8
[M-H]-	178.08736	140.6
[M+Na-2H]-	200.06931	144.9
[M]+	179.09409	140.6
[M]-	179.09519	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe