CID 235533

2-aminotetralin-2-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1CC(CC2=CC=CC=C21)(C(=O)O)N

InChI

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

InChIKey

CDULPPOISZOUTK-UHFFFAOYSA-N

Compound name

2-amino-3,4-dihydro-1H-naphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1776
Patents: 191.09464 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]+	192.101916	140.7
[M+Na]+	214.083858	147.2
[M-H]-	190.087364	143.2
[M+NH4]+	209.128463	161.9
[M+K]+	230.057798	144.3
[M+H-H2O]+	174.091900	135.4
[M+HCOO]-	236.092841	160.1
[M+CH3COO]-	250.108491	181.9
[M+Na-2H]-	212.069306	147.1
[M]+	191.09409142	135.9
[M]-	191.09518858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe