CID 50106

Diethylquinoline

Structural Information

Molecular Formula

C₁₃H₁₅N

SMILES

CCC1=CC2=C(C=C1)N=C(C=C2)CC

InChI

InChI=1S/C13H15N/c1-3-10-5-8-13-11(9-10)6-7-12(4-2)14-13/h5-9H,3-4H2,1-2H3

InChIKey

KXXUQZRDMOQZFD-UHFFFAOYSA-N

Compound name

2,6-diethylquinoline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 17
Patents: 185.12045 Da
Monoisotopic Mass: 3.8
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	140.4
[M+Na]+	208.109668	149.5
[M-H]-	184.113174	143.7
[M+NH4]+	203.154273	160.5
[M+K]+	224.083608	145.7
[M+H-H2O]+	168.117710	133.6
[M+HCOO]-	230.118651	162.3
[M+CH3COO]-	244.134301	185.7
[M+Na-2H]-	206.095116	148.4
[M]+	185.11990142	141.8
[M]-	185.12099858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe