CID 43148219

Methyl 3-amino-2-(naphthalen-2-ylmethyl)propanoate hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₇NO₂

SMILES

COC(=O)C(CC1=CC2=CC=CC=C2C=C1)CN

InChI

InChI=1S/C15H17NO2/c1-18-15(17)14(10-16)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9-10,16H2,1H3

InChIKey

XOPOIMLONUARDX-UHFFFAOYSA-N

Compound name

methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.12593 Da
Monoisotopic Mass: 2.4
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]+	244.133206	156.2
[M+Na]+	266.115148	162.2
[M-H]-	242.118654	159.9
[M+NH4]+	261.159753	174.0
[M+K]+	282.089088	159.2
[M+H-H2O]+	226.123190	149.3
[M+HCOO]-	288.124131	177.7
[M+CH3COO]-	302.139781	196.5
[M+Na-2H]-	264.100596	160.6
[M]+	243.12538142	156.5
[M]-	243.12647858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.