CID 11961558

2,2-dimethyl-1,2,3,4-tetrahydroquinoxaline

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CC1(CNC2=CC=CC=C2N1)C

InChI

InChI=1S/C10H14N2/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h3-6,11-12H,7H2,1-2H3

InChIKey

MESWFJSLPLHJQL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 162.11569 Da
Monoisotopic Mass: 2.3
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]+	163.122966	136.8
[M+Na]+	185.104908	144.4
[M-H]-	161.108414	135.6
[M+NH4]+	180.149513	156.6
[M+K]+	201.078848	139.9
[M+H-H2O]+	145.112950	130.3
[M+HCOO]-	207.113891	152.4
[M+CH3COO]-	221.129541	148.3
[M+Na-2H]-	183.090356	145.0
[M]+	162.11514142	131.0
[M]-	162.11623858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe