CID 493232

(6-butoxy-4-quinolyl)hydrazine

Structural Information

Molecular Formula

C₁₃H₁₇N₃O

SMILES

CCCCOC1=CC2=C(C=CN=C2C=C1)NN

InChI

InChI=1S/C13H17N3O/c1-2-3-8-17-10-4-5-12-11(9-10)13(16-14)6-7-15-12/h4-7,9H,2-3,8,14H2,1H3,(H,15,16)

InChIKey

HJTQUMDCWFOHNM-UHFFFAOYSA-N

Compound name

(6-butoxyquinolin-4-yl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 231.13716 Da
Monoisotopic Mass: 2.6
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]+	232.14444	151.3
[M+Na]+	254.12638	158.5
[M-H]-	230.12988	153.9
[M+NH4]+	249.17098	168.4
[M+K]+	270.10032	154.8
[M+H-H2O]+	214.13442	143.4
[M+HCOO]-	276.13536	174.8
[M+CH3COO]-	290.15101	197.0
[M+Na-2H]-	252.11183	159.1
[M]+	231.13661	151.7
[M]-	231.13771	151.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.