CID 3464498

2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CC1=CC(=CC(=C1O)C)C(C(=O)O)N

InChI

InChI=1S/C10H13NO3/c1-5-3-7(8(11)10(13)14)4-6(2)9(5)12/h3-4,8,12H,11H2,1-2H3,(H,13,14)

InChIKey

VDZLDONAHITOKZ-UHFFFAOYSA-N

Compound name

2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.08954 Da
Monoisotopic Mass: -1.3
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]+	196.096816	141.9
[M+Na]+	218.078758	149.5
[M-H]-	194.082264	143.1
[M+NH4]+	213.123363	159.8
[M+K]+	234.052698	147.3
[M+H-H2O]+	178.086800	136.6
[M+HCOO]-	240.087741	162.3
[M+CH3COO]-	254.103391	184.3
[M+Na-2H]-	216.064206	143.1
[M]+	195.08899142	140.1
[M]-	195.09008858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.