CID 5419

Tetrahydrozoline

Structural Information

Molecular Formula

C₁₃H₁₆N₂

SMILES

C1CC(C2=CC=CC=C2C1)C3=NCCN3

InChI

InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)

InChIKey

BYJAVTDNIXVSPW-UHFFFAOYSA-N

Compound name

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 170
References: 15424
Patents: 200.13135 Da
Monoisotopic Mass: 1.8
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]+	201.13863	145.3
[M+Na]+	223.12057	151.2
[M-H]-	199.12407	147.9
[M+NH4]+	218.16517	163.4
[M+K]+	239.09451	146.3
[M+H-H2O]+	183.12861	136.9
[M+HCOO]-	245.12955	162.2
[M+CH3COO]-	259.14520	156.4
[M+Na-2H]-	221.10602	149.8
[M]+	200.13080	138.8
[M]-	200.13190	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe