CID 45856

63978-82-5

Structural Information

Molecular Formula

C₁₆H₂₀ClNO

SMILES

CCN(CC#C)C1CCCC2=C(C=CC(=C12)Cl)OC

InChI

InChI=1S/C16H20ClNO/c1-4-11-18(5-2)14-8-6-7-12-15(19-3)10-9-13(17)16(12)14/h1,9-10,14H,5-8,11H2,2-3H3

InChIKey

KFZSQERXRTZIIE-UHFFFAOYSA-N

Compound name

8-chloro-N-ethyl-5-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.12335 Da
Monoisotopic Mass: 3.6
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]+	278.130626	163.7
[M+Na]+	300.112568	173.8
[M-H]-	276.116074	167.1
[M+NH4]+	295.157173	180.5
[M+K]+	316.086508	166.4
[M+H-H2O]+	260.120610	152.1
[M+HCOO]-	322.121551	175.2
[M+CH3COO]-	336.137201	211.8
[M+Na-2H]-	298.098016	165.6
[M]+	277.12280142	160.9
[M]-	277.12389858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.