CID 46475

N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CNC1CCCC2=CC=CC=C12

InChI

InChI=1S/C11H15N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11-12H,4,6,8H2,1H3

InChIKey

JQEUPNKUYMHYPW-UHFFFAOYSA-N

Compound name

N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 559
Patents: 161.12045 Da
Monoisotopic Mass: 2.1
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]+	162.12773	134.3
[M+Na]+	184.10967	147.3
[M+NH4]+	179.15427	145.1
[M+K]+	200.08361	139.1
[M-H]-	160.11317	138.9
[M+Na-2H]-	182.09512	141.9
[M]+	161.11990	137.5
[M]-	161.12100	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe