CID 215850

1-methyl-1,2,3,4-tetrahydroquinoxaline

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

CN1CCNC2=CC=CC=C21

InChI

InChI=1S/C9H12N2/c1-11-7-6-10-8-4-2-3-5-9(8)11/h2-5,10H,6-7H2,1H3

InChIKey

SXLZJUPRTINRQQ-UHFFFAOYSA-N

Compound name

4-methyl-2,3-dihydro-1H-quinoxaline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 219
Patents: 148.10005 Da
Monoisotopic Mass: 1.8
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]+	149.10733	131.1
[M+Na]+	171.08927	138.5
[M-H]-	147.09277	131.0
[M+NH4]+	166.13387	150.1
[M+K]+	187.06321	135.0
[M+H-H2O]+	131.09731	124.0
[M+HCOO]-	193.09825	148.5
[M+CH3COO]-	207.11390	143.3
[M+Na-2H]-	169.07472	139.4
[M]+	148.09950	126.4
[M]-	148.10060	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe