CID 14641784

4-butylquinoline

Structural Information

Molecular Formula

C₁₃H₁₅N

SMILES

CCCCC1=CC=NC2=CC=CC=C12

InChI

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

InChIKey

MTSCTQMKKVEJHD-UHFFFAOYSA-N

Compound name

4-butylquinoline

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 237
Patents: 185.12045 Da
Monoisotopic Mass: 4.1
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]+	186.127726	140.6
[M+Na]+	208.109668	148.8
[M-H]-	184.113174	143.5
[M+NH4]+	203.154273	160.4
[M+K]+	224.083608	144.9
[M+H-H2O]+	168.117710	133.5
[M+HCOO]-	230.118651	162.5
[M+CH3COO]-	244.134301	184.6
[M+Na-2H]-	206.095116	149.3
[M]+	185.11990142	141.5
[M]-	185.12099858	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe