CID 22497859

14453-70-4

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CNC1=CC=CC2=C1CCCC2

InChI

InChI=1S/C11H15N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h4,6,8,12H,2-3,5,7H2,1H3

InChIKey

SDBUNGZBDDMXDW-UHFFFAOYSA-N

Compound name

N-methyl-5,6,7,8-tetrahydronaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 161.12045 Da
Monoisotopic Mass: 3.3
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	133.1
[M+Na]+	184.10967	139.1
[M-H]-	160.11317	137.1
[M+NH4]+	179.15427	154.7
[M+K]+	200.08361	136.3
[M+H-H2O]+	144.11771	127.1
[M+HCOO]-	206.11865	155.1
[M+CH3COO]-	220.13430	181.4
[M+Na-2H]-	182.09512	141.2
[M]+	161.11990	129.2
[M]-	161.12100	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe