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

32
Patents

153.00937 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 127.0
[M+Na]+ 175.99859 141.4
[M+NH4]+ 171.04319 132.3
[M+K]+ 191.97253 131.7
[M-H]- 152.00209 121.4
[M+Na-2H]- 173.98404 132.5
[M]+ 153.00882 127.0
[M]- 153.00992 127.0
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