CID 90514

Methyl (r)-aminophenylacetate

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

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

InChI

InChI=1S/C9H11NO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,10H2,1H3/t8-/m1/s1

InChIKey

BHFLUDRTVIDDOR-MRVPVSSYSA-N

Compound name

methyl (2R)-2-amino-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 31
References: 1881
Patents: 165.07898 Da
Monoisotopic Mass: 0.9
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]+	166.08626	134.8
[M+Na]+	188.06820	145.7
[M+NH4]+	183.11280	142.8
[M+K]+	204.04214	140.8
[M-H]-	164.07170	136.6
[M+Na-2H]-	186.05365	141.0
[M]+	165.07843	136.6
[M]-	165.07953	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe