CID 417374

Methyl 3-(4-aminophenyl)propanoate

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

COC(=O)CCC1=CC=C(C=C1)N

InChI

InChI=1S/C10H13NO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7,11H2,1H3

InChIKey

LXHNQRGWWMORLQ-UHFFFAOYSA-N

Compound name

methyl 3-(4-aminophenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 391
Patents: 179.09464 Da
Monoisotopic Mass: 1.6
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	138.8
[M+Na]+	202.08386	150.1
[M+NH4]+	197.12846	146.6
[M+K]+	218.05780	144.4
[M-H]-	178.08736	140.8
[M+Na-2H]-	200.06931	144.9
[M]+	179.09409	140.7
[M]-	179.09519	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe