CID 3891205

1796884-34-8

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

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

InChI

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

InChIKey

FLGHVLZZFJGYOP-UHFFFAOYSA-N

Compound name

2-amino-2-(2,3-dimethylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 179.09464 Da
Monoisotopic Mass: -1.0
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	138.7
[M+Na]+	202.083858	146.0
[M-H]-	178.087364	141.1
[M+NH4]+	197.128463	157.8
[M+K]+	218.057798	144.0
[M+H-H2O]+	162.091900	133.2
[M+HCOO]-	224.092841	160.5
[M+CH3COO]-	238.108491	183.2
[M+Na-2H]-	200.069306	141.2
[M]+	179.09409142	137.0
[M]-	179.09518858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe