CID 3016745

41566-67-0

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CNC1CCCC2=C1C=CC(=C2)OC

InChI

InChI=1S/C12H17NO/c1-13-12-5-3-4-9-8-10(14-2)6-7-11(9)12/h6-8,12-13H,3-5H2,1-2H3

InChIKey

YQEXNIMCMNITTJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 191.13101 Da
Monoisotopic Mass: 2.0
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]+	192.13829	141.0
[M+Na]+	214.12023	147.5
[M-H]-	190.12373	145.2
[M+NH4]+	209.16483	161.7
[M+K]+	230.09417	145.0
[M+H-H2O]+	174.12827	134.8
[M+HCOO]-	236.12921	162.9
[M+CH3COO]-	250.14486	187.6
[M+Na-2H]-	212.10568	147.9
[M]+	191.13046	139.4
[M]-	191.13156	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe