CID 26188712

179873-39-3

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

CNCC1=CC2=NC=CN=C2C=C1

InChI

InChI=1S/C10H11N3/c1-11-7-8-2-3-9-10(6-8)13-5-4-12-9/h2-6,11H,7H2,1H3

InChIKey

QRZKMXOFPHWLCH-UHFFFAOYSA-N

Compound name

N-methyl-1-quinoxalin-6-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 173.09529 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]+	174.10257	135.4
[M+Na]+	196.08451	144.0
[M-H]-	172.08801	137.2
[M+NH4]+	191.12911	153.9
[M+K]+	212.05845	140.5
[M+H-H2O]+	156.09255	127.5
[M+HCOO]-	218.09349	158.0
[M+CH3COO]-	232.10914	148.4
[M+Na-2H]-	194.06996	146.3
[M]+	173.09474	135.1
[M]-	173.09584	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe