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

1
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

patents stripe