CID 28064962

2-chloro-6-(1-pyrrolidinylcarbonyl)pyrazine

Structural Information

Molecular Formula
C9H10ClN3O
SMILES
C1CCN(C1)C(=O)C2=CN=CC(=N2)Cl
InChI
InChI=1S/C9H10ClN3O/c10-8-6-11-5-7(12-8)9(14)13-3-1-2-4-13/h5-6H,1-4H2
InChIKey
PTLWXHNMPCCMKS-UHFFFAOYSA-N
Compound name
(6-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.05124 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05852 144.0
[M+Na]+ 234.04046 152.3
[M-H]- 210.04396 146.2
[M+NH4]+ 229.08506 160.9
[M+K]+ 250.01440 148.5
[M+H-H2O]+ 194.04850 135.3
[M+HCOO]- 256.04944 158.6
[M+CH3COO]- 270.06509 155.9
[M+Na-2H]- 232.02591 147.5
[M]+ 211.05069 142.9
[M]- 211.05179 142.9
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