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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 145.1
[M+Na]+ 238.09509 155.9
[M-H]- 214.09859 148.3
[M+NH4]+ 233.13969 165.0
[M+K]+ 254.06903 151.6
[M+H-H2O]+ 198.10313 137.6
[M+HCOO]- 260.10407 167.2
[M+CH3COO]- 274.11972 158.4
[M+Na-2H]- 236.08054 152.6
[M]+ 215.10532 146.4
[M]- 215.10642 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe