CID 72213652

1260670-14-1

Structural Information

Molecular Formula
C7H8ClN3
SMILES
C1CNCC2=NC=C(N=C21)Cl
InChI
InChI=1S/C7H8ClN3/c8-7-4-10-6-3-9-2-1-5(6)11-7/h4,9H,1-3H2
InChIKey
QUBTXLXMXOYQJF-UHFFFAOYSA-N
Compound name
2-chloro-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04068 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04796 132.1
[M+Na]+ 192.02990 146.6
[M+NH4]+ 187.07450 141.2
[M+K]+ 208.00384 139.1
[M-H]- 168.03340 133.3
[M+Na-2H]- 190.01535 139.0
[M]+ 169.04013 134.7
[M]- 169.04123 134.7
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.