CID 21324

Kb-227

Structural Information

Molecular Formula

C₁₃H₁₇N₃

SMILES

C1CC(C2=CC=CC=C2C1)NC3=NCCN3

InChI

InChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H2,14,15,16)

InChIKey

YSFYKBDQXKNRPP-UHFFFAOYSA-N

Compound name

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 215.14224 Da
Monoisotopic Mass: 1.3
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]+	216.149516	147.6
[M+Na]+	238.131458	152.7
[M-H]-	214.134964	150.3
[M+NH4]+	233.176063	164.9
[M+K]+	254.105398	147.8
[M+H-H2O]+	198.139500	139.0
[M+HCOO]-	260.140441	165.7
[M+CH3COO]-	274.156091	158.3
[M+Na-2H]-	236.116906	153.0
[M]+	215.14169142	140.5
[M]-	215.14278858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe