CID 64116378

2044872-18-4

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CONCC1CCCC2=CC=CC=C12

InChI

InChI=1S/C12H17NO/c1-14-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-3,5,8,11,13H,4,6-7,9H2,1H3

InChIKey

KCMZSRFLZZEHBE-UHFFFAOYSA-N

Compound name

N-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.13101 Da
Monoisotopic Mass: 2.5
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]+	192.138286	141.0
[M+Na]+	214.120228	146.5
[M-H]-	190.123734	144.7
[M+NH4]+	209.164833	161.3
[M+K]+	230.094168	143.9
[M+H-H2O]+	174.128270	134.5
[M+HCOO]-	236.129211	162.8
[M+CH3COO]-	250.144861	186.5
[M+Na-2H]-	212.105676	148.6
[M]+	191.13046142	138.9
[M]-	191.13155858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.