CID 125425016

Rac-(1r,2s)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C[C@@]1(C[C@]1(C(=O)O)N)C2=CC=CC=C2

InChI

InChI=1S/C11H13NO2/c1-10(7-11(10,12)9(13)14)8-5-3-2-4-6-8/h2-6H,7,12H2,1H3,(H,13,14)/t10-,11-/m1/s1

InChIKey

OUCAXEAXUFGYFI-GHMZBOCLSA-N

Compound name

trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.09464 Da
Monoisotopic Mass: -1.1
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]+	192.101916	139.0
[M+Na]+	214.083858	148.7
[M-H]-	190.087364	145.7
[M+NH4]+	209.128463	156.5
[M+K]+	230.057798	146.7
[M+H-H2O]+	174.091900	135.1
[M+HCOO]-	236.092841	161.4
[M+CH3COO]-	250.108491	185.2
[M+Na-2H]-	212.069306	146.0
[M]+	191.09409142	140.5
[M]-	191.09518858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.