CID 26967054

2-chloro-6-(pyrrolidin-1-yl)pyrazine

Structural Information

Molecular Formula
C8H10ClN3
SMILES
C1CCN(C1)C2=CN=CC(=N2)Cl
InChI
InChI=1S/C8H10ClN3/c9-7-5-10-6-8(11-7)12-3-1-2-4-12/h5-6H,1-4H2
InChIKey
JWMYNAAPKTUCSM-UHFFFAOYSA-N
Compound name
2-chloro-6-pyrrolidin-1-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

51
Patents

183.05632 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.063596 137.3
[M+Na]+ 206.045538 146.0
[M-H]- 182.049044 139.4
[M+NH4]+ 201.090143 155.4
[M+K]+ 222.019478 142.1
[M+H-H2O]+ 166.053580 128.6
[M+HCOO]- 228.054521 152.7
[M+CH3COO]- 242.070171 149.8
[M+Na-2H]- 204.030986 142.3
[M]+ 183.05577142 135.7
[M]- 183.05686858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe