CID 50146

2-guanidinomethylquinoline nitrate

Structural Information

Molecular Formula

C₁₁H₁₂N₄

SMILES

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

InChI

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

InChIKey

NAFDNUMFSVVNDR-UHFFFAOYSA-N

Compound name

2-(quinolin-2-ylmethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.1062 Da
Monoisotopic Mass: 0.6
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]+	201.11348	141.6
[M+Na]+	223.09542	148.7
[M-H]-	199.09892	145.3
[M+NH4]+	218.14002	159.8
[M+K]+	239.06936	145.3
[M+H-H2O]+	183.10346	133.8
[M+HCOO]-	245.10440	166.8
[M+CH3COO]-	259.12005	194.0
[M+Na-2H]-	221.08087	150.0
[M]+	200.10565	138.4
[M]-	200.10675	138.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.