CID 228214

(+)-n-methyl-l-phenylglycine

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CNC(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C9H11NO2/c1-10-8(9(11)12)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)

InChIKey

HGIPIEYZJPULIQ-UHFFFAOYSA-N

Compound name

2-(methylamino)-2-phenylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 508
Patents: 165.07898 Da
Monoisotopic Mass: -1.2
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]+	166.086256	134.5
[M+Na]+	188.068198	140.3
[M-H]-	164.071704	136.7
[M+NH4]+	183.112803	153.8
[M+K]+	204.042138	138.8
[M+H-H2O]+	148.076240	128.7
[M+HCOO]-	210.077181	157.3
[M+CH3COO]-	224.092831	178.4
[M+Na-2H]-	186.053646	140.0
[M]+	165.07843142	132.6
[M]-	165.07952858	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe