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]+ 228.053436 146.8
[M+Na]+ 250.035378 155.3
[M-H]- 226.038884 148.1
[M+NH4]+ 245.079983 162.5
[M+K]+ 266.009318 151.2
[M+H-H2O]+ 210.043420 138.6
[M+HCOO]- 272.044361 160.1
[M+CH3COO]- 286.060011 183.4
[M+Na-2H]- 248.020826 149.1
[M]+ 227.04561142 145.7
[M]- 227.04670858 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.