CID 14787673

N-(6-chloropyrazin-2-yl)acetamide

Structural Information

Molecular Formula
C6H6ClN3O
SMILES
CC(=O)NC1=CN=CC(=N1)Cl
InChI
InChI=1S/C6H6ClN3O/c1-4(11)9-6-3-8-2-5(7)10-6/h2-3H,1H3,(H,9,10,11)
InChIKey
ULFJKYKKTRODFV-UHFFFAOYSA-N
Compound name
N-(6-chloropyrazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

171.01994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.027216 131.1
[M+Na]+ 194.009158 140.7
[M-H]- 170.012664 132.4
[M+NH4]+ 189.053763 149.5
[M+K]+ 209.983098 137.7
[M+H-H2O]+ 154.017200 124.6
[M+HCOO]- 216.018141 149.9
[M+CH3COO]- 230.033791 178.7
[M+Na-2H]- 191.994606 139.0
[M]+ 171.01939142 132.4
[M]- 171.02048858 132.4
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