CID 2312491

5-chloro-2-(pyrrolidin-1-yl)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C9H10ClN3O2
SMILES
C1CCN(C1)C2=NC=C(C(=N2)C(=O)O)Cl
InChI
InChI=1S/C9H10ClN3O2/c10-6-5-11-9(12-7(6)8(14)15)13-3-1-2-4-13/h5H,1-4H2,(H,14,15)
InChIKey
QSLMZZIXTMLEFO-UHFFFAOYSA-N
Compound name
5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

227.04616 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05344 146.8
[M+Na]+ 250.03538 155.3
[M-H]- 226.03888 148.1
[M+NH4]+ 245.07998 162.5
[M+K]+ 266.00932 151.2
[M+H-H2O]+ 210.04342 138.6
[M+HCOO]- 272.04436 160.1
[M+CH3COO]- 286.06001 183.4
[M+Na-2H]- 248.02083 149.1
[M]+ 227.04561 145.7
[M]- 227.04671 145.7
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

No patent data available for this compound.