CID 54592642

1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C9H11ClN4O
SMILES
C1CC(N(C1)C2=CC(=NC=N2)Cl)C(=O)N
InChI
InChI=1S/C9H11ClN4O/c10-7-4-8(13-5-12-7)14-3-1-2-6(14)9(11)15/h4-6H,1-3H2,(H2,11,15)
InChIKey
ASJVRTCVLOIIOQ-UHFFFAOYSA-N
Compound name
1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.06213 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06941 148.3
[M+Na]+ 249.05135 156.5
[M-H]- 225.05485 150.4
[M+NH4]+ 244.09595 164.2
[M+K]+ 265.02529 152.3
[M+H-H2O]+ 209.05939 139.7
[M+HCOO]- 271.06033 163.3
[M+CH3COO]- 285.07598 188.1
[M+Na-2H]- 247.03680 150.6
[M]+ 226.06158 146.1
[M]- 226.06268 146.1
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.