CID 22709432

103096-01-1

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

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

InChI

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

InChIKey

AQMIHACOZPBRBJ-UHFFFAOYSA-N

Compound name

2-(3-aminophenyl)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 179.09464 Da
Monoisotopic Mass: 1.8
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]+	180.101916	138.5
[M+Na]+	202.083858	145.6
[M-H]-	178.087364	140.7
[M+NH4]+	197.128463	157.5
[M+K]+	218.057798	143.5
[M+H-H2O]+	162.091900	133.4
[M+HCOO]-	224.092841	159.7
[M+CH3COO]-	238.108491	181.4
[M+Na-2H]-	200.069306	143.7
[M]+	179.09409142	136.6
[M]-	179.09518858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe