CID 3020035

8-butylquinoline

Structural Information

Molecular Formula

C₁₃H₁₅N

SMILES

CCCCC1=CC=CC2=C1N=CC=C2

InChI

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

InChIKey

YDSONSCALKQCLG-UHFFFAOYSA-N

Compound name

8-butylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 185.12045 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]+	186.12773	140.6
[M+Na]+	208.10967	148.8
[M-H]-	184.11317	143.5
[M+NH4]+	203.15427	160.4
[M+K]+	224.08361	144.9
[M+H-H2O]+	168.11771	133.5
[M+HCOO]-	230.11865	162.5
[M+CH3COO]-	244.13430	184.6
[M+Na-2H]-	206.09512	149.3
[M]+	185.11990	141.5
[M]-	185.12100	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe