CID 64146955

Methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

COC(=O)C(CC1CCCC2=CC=CC=C12)N

InChI

InChI=1S/C14H19NO2/c1-17-14(16)13(15)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-3,5,8,11,13H,4,6-7,9,15H2,1H3

InChIKey

FMDYADPUIXUSMM-UHFFFAOYSA-N

Compound name

methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 233.14159 Da
Monoisotopic Mass: 2.5
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]+	234.148866	154.0
[M+Na]+	256.130808	158.4
[M-H]-	232.134314	157.1
[M+NH4]+	251.175413	172.1
[M+K]+	272.104748	156.0
[M+H-H2O]+	216.138850	147.4
[M+HCOO]-	278.139791	172.9
[M+CH3COO]-	292.155441	194.2
[M+Na-2H]-	254.116256	157.0
[M]+	233.14104142	151.1
[M]-	233.14213858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe