CID 29987847

72683-79-5

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

COC(=O)[C@@H](CC1=CC(=CC=C1)O)N

InChI

InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-3-2-4-8(12)5-7/h2-5,9,12H,6,11H2,1H3/t9-/m1/s1

InChIKey

VYYPEVTYONMYNH-SECBINFHSA-N

Compound name

methyl (2R)-2-amino-3-(3-hydroxyphenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 195.08954 Da
Monoisotopic Mass: 0.1
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]+	196.09682	142.4
[M+Na]+	218.07876	152.4
[M+NH4]+	213.12336	149.2
[M+K]+	234.05270	148.3
[M-H]-	194.08226	143.1
[M+Na-2H]-	216.06421	147.0
[M]+	195.08899	143.7
[M]-	195.09009	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe