CID 650791

127556-78-9

Structural Information

Molecular Formula

C₁₂H₁₃N₃O

SMILES

COC1=CC2=C(C=C1)N3CCN=C(C3=C2)N

InChI

InChI=1S/C12H13N3O/c1-16-9-2-3-10-8(6-9)7-11-12(13)14-4-5-15(10)11/h2-3,6-7H,4-5H2,1H3,(H2,13,14)

InChIKey

KYHGGLUWYDUESO-UHFFFAOYSA-N

Compound name

8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 3
Patents: 215.10587 Da
Monoisotopic Mass: 0.8
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]+	216.11315	145.3
[M+Na]+	238.09509	159.2
[M+NH4]+	233.13969	154.4
[M+K]+	254.06903	153.9
[M-H]-	214.09859	148.1
[M+Na-2H]-	236.08054	151.5
[M]+	215.10532	148.0
[M]-	215.10642	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe