CID 12192007

181227-46-3

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1C(CC2=CC=CC=C21)[C@H](C(=O)O)N

InChI

InChI=1S/C11H13NO2/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6,12H2,(H,13,14)/t10-/m1/s1

InChIKey

GUDHMDVRURNAHL-SNVBAGLBSA-N

Compound name

(2R)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 254
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	141.6
[M+Na]+	214.083858	147.7
[M-H]-	190.087364	144.2
[M+NH4]+	209.128463	162.5
[M+K]+	230.057798	145.0
[M+H-H2O]+	174.091900	136.2
[M+HCOO]-	236.092841	162.2
[M+CH3COO]-	250.108491	182.8
[M+Na-2H]-	212.069306	144.2
[M]+	191.09409142	138.0
[M]-	191.09518858	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe