CID 115094963

2567498-08-0

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CN1CCNC2=C1C(=CC=C2)O

InChI

InChI=1S/C9H12N2O/c1-11-6-5-10-7-3-2-4-8(12)9(7)11/h2-4,10,12H,5-6H2,1H3

InChIKey

XEPKQROGCBVSJH-UHFFFAOYSA-N

Compound name

4-methyl-2,3-dihydro-1H-quinoxalin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.09496 Da
Monoisotopic Mass: 1.4
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]+	165.10224	134.8
[M+Na]+	187.08418	147.7
[M+NH4]+	182.12878	143.3
[M+K]+	203.05812	141.4
[M-H]-	163.08768	135.9
[M+Na-2H]-	185.06963	140.2
[M]+	164.09441	136.8
[M]-	164.09551	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.