CID 24258976

1255717-03-3

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC1=CC=C(C=C1)C(C(=O)O)N(C)C

InChI

InChI=1S/C11H15NO2/c1-8-4-6-9(7-5-8)10(11(13)14)12(2)3/h4-7,10H,1-3H3,(H,13,14)

InChIKey

FPPJNXPDVUZZPS-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-2-(4-methylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 193.11028 Da
Monoisotopic Mass: -0.4
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]+	194.11756	142.7
[M+Na]+	216.09950	148.8
[M-H]-	192.10300	146.5
[M+NH4]+	211.14410	161.9
[M+K]+	232.07344	148.3
[M+H-H2O]+	176.10754	136.6
[M+HCOO]-	238.10848	165.3
[M+CH3COO]-	252.12413	189.2
[M+Na-2H]-	214.08495	145.7
[M]+	193.10973	143.3
[M]-	193.11083	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe