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

50
Patents

171.01994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.02722 131.1
[M+Na]+ 194.00916 140.7
[M-H]- 170.01266 132.4
[M+NH4]+ 189.05376 149.5
[M+K]+ 209.98310 137.7
[M+H-H2O]+ 154.01720 124.6
[M+HCOO]- 216.01814 149.9
[M+CH3COO]- 230.03379 178.7
[M+Na-2H]- 191.99461 139.0
[M]+ 171.01939 132.4
[M]- 171.02049 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