CID 28775384

249935-53-3

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

COC1=CC=C(C=C1)[C@@H](C(=O)OC)N

InChI

InChI=1S/C10H13NO3/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2/h3-6,9H,11H2,1-2H3/t9-/m0/s1

InChIKey

CHXXZNYVXXJUSN-VIFPVBQESA-N

Compound name

methyl (2S)-2-amino-2-(4-methoxyphenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 195.08954 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]+	196.09682	141.9
[M+Na]+	218.07876	152.4
[M+NH4]+	213.12336	149.1
[M+K]+	234.05270	148.0
[M-H]-	194.08226	143.2
[M+Na-2H]-	216.06421	147.2
[M]+	195.08899	143.5
[M]-	195.09009	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe