CID 122238884

Methyl 1-(6-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C10H12ClN3O2
SMILES
COC(=O)C1CCN(C1)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C10H12ClN3O2/c1-16-10(15)7-2-3-14(5-7)9-4-8(11)12-6-13-9/h4,6-7H,2-3,5H2,1H3
InChIKey
HCOOBXSWFBFLFG-UHFFFAOYSA-N
Compound name
methyl 1-(6-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0618 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06908 151.1
[M+Na]+ 264.05102 159.7
[M-H]- 240.05452 153.6
[M+NH4]+ 259.09562 167.0
[M+K]+ 280.02496 156.2
[M+H-H2O]+ 224.05906 142.4
[M+HCOO]- 286.06000 165.5
[M+CH3COO]- 300.07565 188.3
[M+Na-2H]- 262.03647 153.3
[M]+ 241.06125 152.2
[M]- 241.06235 152.2
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.