CID 5524

Tramazoline

Structural Information

Molecular Formula

C₁₃H₁₇N₃

SMILES

C1CCC2=C(C1)C=CC=C2NC3=NCCN3

InChI

InChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16)

InChIKey

QQJLHRRUATVHED-UHFFFAOYSA-N

Compound name

N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 3994
References: 9209
Patents: 215.14224 Da
Monoisotopic Mass: 2.0
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]+	216.14952	147.6
[M+Na]+	238.13146	152.7
[M-H]-	214.13496	150.3
[M+NH4]+	233.17606	164.9
[M+K]+	254.10540	147.8
[M+H-H2O]+	198.13950	139.0
[M+HCOO]-	260.14044	165.7
[M+CH3COO]-	274.15609	158.3
[M+Na-2H]-	236.11691	153.0
[M]+	215.14169	140.5
[M]-	215.14279	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe