CID 3056887

1-ethyl-1,2,3,4-tetrahydroquinoxaline

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CCN1CCNC2=CC=CC=C21

InChI

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

InChIKey

KIDFEKJWQHWALS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 36
Patents: 162.11569 Da
Monoisotopic Mass: 2.2
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]+	163.122966	135.6
[M+Na]+	185.104908	142.6
[M-H]-	161.108414	135.4
[M+NH4]+	180.149513	154.1
[M+K]+	201.078848	138.8
[M+H-H2O]+	145.112950	128.4
[M+HCOO]-	207.113891	152.8
[M+CH3COO]-	221.129541	147.4
[M+Na-2H]-	183.090356	143.4
[M]+	162.11514142	131.3
[M]-	162.11623858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe