CID 3020034

84682-11-1

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CCC(C)C1=CC2=C(C=C1)NCCC2

InChI

InChI=1S/C13H19N/c1-3-10(2)11-6-7-13-12(9-11)5-4-8-14-13/h6-7,9-10,14H,3-5,8H2,1-2H3

InChIKey

SGEUVWGCLKXHFC-UHFFFAOYSA-N

Compound name

6-butan-2-yl-1,2,3,4-tetrahydroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.15175 Da
Monoisotopic Mass: 4.0
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]+	190.159026	144.6
[M+Na]+	212.140968	149.9
[M-H]-	188.144474	145.4
[M+NH4]+	207.185573	163.3
[M+K]+	228.114908	146.1
[M+H-H2O]+	172.149010	137.9
[M+HCOO]-	234.149951	161.0
[M+CH3COO]-	248.165601	183.5
[M+Na-2H]-	210.126416	149.5
[M]+	189.15120142	140.2
[M]-	189.15229858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe