CID 80196885

1499558-04-1

Structural Information

Molecular Formula
C8H10BrN3
SMILES
CC1CNC2=C(N1)N=CC(=C2)Br
InChI
InChI=1S/C8H10BrN3/c1-5-3-10-7-2-6(9)4-11-8(7)12-5/h2,4-5,10H,3H2,1H3,(H,11,12)
InChIKey
ZCYMVYXIUYAUBV-UHFFFAOYSA-N
Compound name
7-bromo-3-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.00581 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01309 141.6
[M+Na]+ 249.99503 152.9
[M-H]- 225.99853 142.1
[M+NH4]+ 245.03963 159.4
[M+K]+ 265.96897 140.1
[M+H-H2O]+ 210.00307 141.0
[M+HCOO]- 272.00401 154.7
[M+CH3COO]- 286.01966 154.3
[M+Na-2H]- 247.98048 150.1
[M]+ 227.00526 154.8
[M]- 227.00636 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.