CID 19851

2-methylisoquinolinium iodide

Structural Information

Molecular Formula

C₁₀H₁₀N

SMILES

C[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C10H10N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3/q+1

InChIKey

ZONQVNWUCWMRBX-UHFFFAOYSA-N

Compound name

2-methylisoquinolin-2-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 544
Patents: 144.08133 Da
Monoisotopic Mass: 1.4
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]+	145.08861	128.0
[M+Na]+	167.07055	137.4
[M-H]-	143.07405	131.9
[M+NH4]+	162.11515	149.2
[M+K]+	183.04449	129.0
[M+H-H2O]+	127.07859	124.4
[M+HCOO]-	189.07953	150.7
[M+CH3COO]-	203.09518	169.2
[M+Na-2H]-	165.05600	140.5
[M]+	144.08078	126.8
[M]-	144.08188	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe