CID 54278

4-guanidinomethylquinoline hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂N₄

SMILES

C1=CC=C2C(=C1)C(=CC=N2)CN=C(N)N

InChI

InChI=1S/C11H12N4/c12-11(13)15-7-8-5-6-14-10-4-2-1-3-9(8)10/h1-6H,7H2,(H4,12,13,15)

InChIKey

NPJLQGVJRXAUGV-UHFFFAOYSA-N

Compound name

2-(quinolin-4-ylmethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.1062 Da
Monoisotopic Mass: 0.7
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]+	201.113476	141.6
[M+Na]+	223.095418	148.7
[M-H]-	199.098924	145.3
[M+NH4]+	218.140023	159.8
[M+K]+	239.069358	145.3
[M+H-H2O]+	183.103460	133.8
[M+HCOO]-	245.104401	166.8
[M+CH3COO]-	259.120051	194.0
[M+Na-2H]-	221.080866	150.0
[M]+	200.10565142	138.4
[M]-	200.10674858	138.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.