CID 49921

67510-82-1

Structural Information

Molecular Formula

C₁₅H₂₁NO

SMILES

CC1C(CCC2=C1C=CC=C2OC)NC3CC3

InChI

InChI=1S/C15H21NO/c1-10-12-4-3-5-15(17-2)13(12)8-9-14(10)16-11-6-7-11/h3-5,10-11,14,16H,6-9H2,1-2H3

InChIKey

SDHOQMJVZVMNCQ-UHFFFAOYSA-N

Compound name

N-cyclopropyl-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 231.16231 Da
Monoisotopic Mass: 3.1
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]+	232.169586	150.9
[M+Na]+	254.151528	158.9
[M-H]-	230.155034	158.7
[M+NH4]+	249.196133	165.2
[M+K]+	270.125468	154.9
[M+H-H2O]+	214.159570	143.9
[M+HCOO]-	276.160511	172.0
[M+CH3COO]-	290.176161	199.0
[M+Na-2H]-	252.136976	155.9
[M]+	231.16176142	151.8
[M]-	231.16285858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe