CID 236509

79025-21-1

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1CC2=CC=CC=C2C(C1)(C(=O)O)N

InChI

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

InChIKey

WIYFEDPFIIDANF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
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]+	192.10192	140.9
[M+Na]+	214.08386	151.8
[M+NH4]+	209.12846	151.0
[M+K]+	230.05780	144.3
[M-H]-	190.08736	143.2
[M+Na-2H]-	212.06931	147.5
[M]+	191.09409	143.1
[M]-	191.09519	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe