CID 12038531

5-chloro-2-methylpyrido[3,4-b]pyrazine

Structural Information

Molecular Formula
C8H6ClN3
SMILES
CC1=CN=C2C(=N1)C=CN=C2Cl
InChI
InChI=1S/C8H6ClN3/c1-5-4-11-7-6(12-5)2-3-10-8(7)9/h2-4H,1H3
InChIKey
IYGMHUPCSCEODV-UHFFFAOYSA-N
Compound name
5-chloro-2-methylpyrido[3,4-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

179.02502 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.032296 133.2
[M+Na]+ 202.014238 145.2
[M-H]- 178.017744 133.9
[M+NH4]+ 197.058843 151.5
[M+K]+ 217.988178 140.4
[M+H-H2O]+ 162.022280 125.7
[M+HCOO]- 224.023221 149.2
[M+CH3COO]- 238.038871 146.7
[M+Na-2H]- 199.999686 143.3
[M]+ 179.02447142 135.6
[M]- 179.02556858 135.6
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