CID 84039054

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

Structural Information

Molecular Formula
C8H6ClN3
SMILES
CC1=C(N=C2C(=N1)C=CC=N2)Cl
InChI
InChI=1S/C8H6ClN3/c1-5-7(9)12-8-6(11-5)3-2-4-10-8/h2-4H,1H3
InChIKey
YARAETSZJAIRCE-UHFFFAOYSA-N
Compound name
3-chloro-2-methylpyrido[2,3-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

179.02502 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03230 133.2
[M+Na]+ 202.01424 145.2
[M-H]- 178.01774 133.9
[M+NH4]+ 197.05884 151.5
[M+K]+ 217.98818 140.4
[M+H-H2O]+ 162.02228 125.7
[M+HCOO]- 224.02322 149.2
[M+CH3COO]- 238.03887 146.7
[M+Na-2H]- 199.99969 143.3
[M]+ 179.02447 135.6
[M]- 179.02557 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

No literature data available for this compound.

Patent stripe

patents stripe