CID 71744187

3-chloro-6-methylpyrazine-2-carbonitrile

Structural Information

Molecular Formula
C6H4ClN3
SMILES
CC1=CN=C(C(=N1)C#N)Cl
InChI
InChI=1S/C6H4ClN3/c1-4-3-9-6(7)5(2-8)10-4/h3H,1H3
InChIKey
XIOGIWQSAYUWGG-UHFFFAOYSA-N
Compound name
3-chloro-6-methylpyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

153.00937 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.016646 124.7
[M+Na]+ 175.998588 137.2
[M-H]- 152.002094 125.4
[M+NH4]+ 171.043193 142.2
[M+K]+ 191.972528 133.6
[M+H-H2O]+ 136.006630 111.9
[M+HCOO]- 198.007571 139.7
[M+CH3COO]- 212.023221 187.9
[M+Na-2H]- 173.984036 132.2
[M]+ 153.00882142 121.6
[M]- 153.00991858 121.6
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