CID 681676

(+)-n-methyl-l-phenylglycine

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CN[C@H](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)/t8-/m1/s1

InChIKey

HGIPIEYZJPULIQ-MRVPVSSYSA-N

Compound name

(2R)-2-(methylamino)-2-phenylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 549
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]+	166.08626	134.5
[M+Na]+	188.06820	140.3
[M-H]-	164.07170	136.7
[M+NH4]+	183.11280	153.8
[M+K]+	204.04214	138.8
[M+H-H2O]+	148.07624	128.7
[M+HCOO]-	210.07718	157.3
[M+CH3COO]-	224.09283	178.4
[M+Na-2H]-	186.05365	140.0
[M]+	165.07843	132.6
[M]-	165.07953	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe