CID 103401

6-sec-butylquinoline

Structural Information

Molecular Formula

C₁₃H₁₅N

SMILES

CCC(C)C1=CC2=C(C=C1)N=CC=C2

InChI

InChI=1S/C13H15N/c1-3-10(2)11-6-7-13-12(9-11)5-4-8-14-13/h4-10H,3H2,1-2H3

InChIKey

AUBLFWWZTFFBNU-UHFFFAOYSA-N

Compound name

6-butan-2-ylquinoline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3827
Patents: 185.12045 Da
Monoisotopic Mass: 3.9
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]+	186.12773	141.0
[M+Na]+	208.10967	156.2
[M+NH4]+	203.15427	151.1
[M+K]+	224.08361	147.7
[M-H]-	184.11317	144.6
[M+Na-2H]-	206.09512	149.5
[M]+	185.11990	144.4
[M]-	185.12100	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe