CID 3064679

Dtxsid10909419

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1[C@@H]([C@]1(C2=CC=CC=C2)C(=O)O)CN

InChI

InChI=1S/C11H13NO2/c12-7-9-6-11(9,10(13)14)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-,11+/m1/s1

InChIKey

RKFHJXBVMPGLRG-KOLCDFICSA-N

Compound name

cis-(1R,2S)-2-(aminomethyl)-1-phenylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.09464 Da
Monoisotopic Mass: -1.6
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	138.4
[M+Na]+	214.083858	147.3
[M-H]-	190.087364	144.7
[M+NH4]+	209.128463	153.9
[M+K]+	230.057798	144.4
[M+H-H2O]+	174.091900	133.3
[M+HCOO]-	236.092841	161.2
[M+CH3COO]-	250.108491	185.5
[M+Na-2H]-	212.069306	144.3
[M]+	191.09409142	139.3
[M]-	191.09518858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.