CID 60796100

2-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-2-ol

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CC(CC2=CC=CC=C21)(CN)O

InChI

InChI=1S/C11H15NO/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11/h1-4,13H,5-8,12H2

InChIKey

LUNDWBGKMFHRAO-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.11537 Da
Monoisotopic Mass: 0.8
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]+	178.12265	138.3
[M+Na]+	200.10459	150.0
[M+NH4]+	195.14919	149.3
[M+K]+	216.07853	141.2
[M-H]-	176.10809	141.6
[M+Na-2H]-	198.09004	145.8
[M]+	177.11482	141.0
[M]-	177.11592	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe