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]+ 228.013086 141.6
[M+Na]+ 249.995028 152.9
[M-H]- 225.998534 142.1
[M+NH4]+ 245.039633 159.4
[M+K]+ 265.968968 140.1
[M+H-H2O]+ 210.003070 141.0
[M+HCOO]- 272.004011 154.7
[M+CH3COO]- 286.019661 154.3
[M+Na-2H]- 247.980476 150.1
[M]+ 227.00526142 154.8
[M]- 227.00635858 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.