CID 156846841

3-chloro-5-cyclopropylpyrazine-2-carbonitrile

Structural Information

Molecular Formula
C8H6ClN3
SMILES
C1CC1C2=CN=C(C(=N2)Cl)C#N
InChI
InChI=1S/C8H6ClN3/c9-8-6(3-10)11-4-7(12-8)5-1-2-5/h4-5H,1-2H2
InChIKey
AUGIPFGGEVMITH-UHFFFAOYSA-N
Compound name
3-chloro-5-cyclopropylpyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

179.02502 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03230 136.1
[M+Na]+ 202.01424 151.2
[M+NH4]+ 197.05884 142.1
[M+K]+ 217.98818 142.7
[M-H]- 178.01774 138.0
[M+Na-2H]- 199.99969 144.1
[M]+ 179.02447 139.3
[M]- 179.02557 139.3
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