CID 43190780

Methyl 2-[(1-phenylpropyl)amino]acetate

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CCC(C1=CC=CC=C1)NCC(=O)OC

InChI

InChI=1S/C12H17NO2/c1-3-11(13-9-12(14)15-2)10-7-5-4-6-8-10/h4-8,11,13H,3,9H2,1-2H3

InChIKey

GGEBRSXPLRWCKE-UHFFFAOYSA-N

Compound name

methyl 2-(1-phenylpropylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.12593 Da
Monoisotopic Mass: 2.1
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]+	208.133206	148.3
[M+Na]+	230.115148	153.3
[M-H]-	206.118654	151.4
[M+NH4]+	225.159753	166.7
[M+K]+	246.089088	152.0
[M+H-H2O]+	190.123190	141.6
[M+HCOO]-	252.124131	171.5
[M+CH3COO]-	266.139781	189.4
[M+Na-2H]-	228.100596	152.6
[M]+	207.12538142	149.3
[M]-	207.12647858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.