CID 21036679

52517-54-1

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

CC1CCCC2=NC=CN=C12

InChI

InChI=1S/C9H12N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h5-7H,2-4H2,1H3

InChIKey

JPKFXMPIYYDRJK-UHFFFAOYSA-N

Compound name

5-methyl-5,6,7,8-tetrahydroquinoxaline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 14
Patents: 148.10005 Da
Monoisotopic Mass: 1.2
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	130.4
[M+Na]+	171.08927	138.2
[M-H]-	147.09277	131.8
[M+NH4]+	166.13387	150.2
[M+K]+	187.06321	135.7
[M+H-H2O]+	131.09731	123.0
[M+HCOO]-	193.09825	149.4
[M+CH3COO]-	207.11390	143.3
[M+Na-2H]-	169.07472	139.2
[M]+	148.09950	127.6
[M]-	148.10060	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe