CID 17801437

1h,2h,3h,4h-pyrido[3,4-b]pyrazine

Structural Information

Molecular Formula
C7H9N3
SMILES
C1CNC2=C(N1)C=CN=C2
InChI
InChI=1S/C7H9N3/c1-2-8-5-7-6(1)9-3-4-10-7/h1-2,5,9-10H,3-4H2
InChIKey
BCLNCKWTUZQTHS-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

135.07965 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.086926 127.5
[M+Na]+ 158.068868 134.5
[M-H]- 134.072374 124.5
[M+NH4]+ 153.113473 144.6
[M+K]+ 174.042808 130.3
[M+H-H2O]+ 118.076910 119.9
[M+HCOO]- 180.077851 142.7
[M+CH3COO]- 194.093501 138.7
[M+Na-2H]- 156.054316 137.1
[M]+ 135.07910142 120.4
[M]- 135.08019858 120.4
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