CID 165990519

6-chloro-5-ethynylpyrazin-2-amine

Structural Information

Molecular Formula
C6H4ClN3
SMILES
C#CC1=NC=C(N=C1Cl)N
InChI
InChI=1S/C6H4ClN3/c1-2-4-6(7)10-5(8)3-9-4/h1,3H,(H2,8,10)
InChIKey
AKGGSNXKRRXAFB-UHFFFAOYSA-N
Compound name
6-chloro-5-ethynylpyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.00937 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 127.3
[M+Na]+ 175.99859 139.4
[M-H]- 152.00209 126.4
[M+NH4]+ 171.04319 144.0
[M+K]+ 191.97253 134.7
[M+H-H2O]+ 136.00663 114.9
[M+HCOO]- 198.00757 140.4
[M+CH3COO]- 212.02322 184.9
[M+Na-2H]- 173.98404 133.3
[M]+ 153.00882 121.5
[M]- 153.00992 121.5
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

No patent data available for this compound.