CID 294582

64562-94-3

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

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

InChI

InChI=1S/C12H15NO3/c1-9(12(15)16-2)13-11(14)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)

InChIKey

DLCNTEDUKYKOIF-UHFFFAOYSA-N

Compound name

methyl 2-[(2-phenylacetyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 221.1052 Da
Monoisotopic Mass: 1.0
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]+	222.11248	150.4
[M+Na]+	244.09442	160.1
[M+NH4]+	239.13902	156.9
[M+K]+	260.06836	155.5
[M-H]-	220.09792	151.2
[M+Na-2H]-	242.07987	155.3
[M]+	221.10465	151.6
[M]-	221.10575	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe