CID 2324915

327064-07-3

Structural Information

Molecular Formula
C9H10ClN3O3
SMILES
C1COCCN1C2=NC=C(C(=N2)C(=O)O)Cl
InChI
InChI=1S/C9H10ClN3O3/c10-6-5-11-9(12-7(6)8(14)15)13-1-3-16-4-2-13/h5H,1-4H2,(H,14,15)
InChIKey
COKXEMMIPVQCNB-UHFFFAOYSA-N
Compound name
5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

243.04106 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04834 149.9
[M+Na]+ 266.03028 157.5
[M-H]- 242.03378 151.3
[M+NH4]+ 261.07488 161.6
[M+K]+ 282.00422 154.8
[M+H-H2O]+ 226.03832 141.2
[M+HCOO]- 288.03926 160.2
[M+CH3COO]- 302.05491 186.2
[M+Na-2H]- 264.01573 154.6
[M]+ 243.04051 148.8
[M]- 243.04161 148.8
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.