CID 4357196

134722-09-1

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

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

InChI

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

InChIKey

KHUUENJNFACTSN-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(4-methylphenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 179.09464 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]+	180.10192	138.9
[M+Na]+	202.08386	150.0
[M+NH4]+	197.12846	146.7
[M+K]+	218.05780	145.0
[M-H]-	178.08736	140.8
[M+Na-2H]-	200.06931	144.7
[M]+	179.09409	140.8
[M]-	179.09519	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe