CID 12570280

250726-42-2

Structural Information

Molecular Formula
C9H11N3O3
SMILES
C1COCCN1C2=NC=CC(=N2)C(=O)O
InChI
InChI=1S/C9H11N3O3/c13-8(14)7-1-2-10-9(11-7)12-3-5-15-6-4-12/h1-2H,3-6H2,(H,13,14)
InChIKey
DXRYBQPQDHMATF-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

209.08005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 144.9
[M+Na]+ 232.06927 151.1
[M-H]- 208.07277 146.3
[M+NH4]+ 227.11387 156.9
[M+K]+ 248.04321 149.9
[M+H-H2O]+ 192.07731 135.6
[M+HCOO]- 254.07825 160.0
[M+CH3COO]- 268.09390 181.2
[M+Na-2H]- 230.05472 150.9
[M]+ 209.07950 141.5
[M]- 209.08060 141.5
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

patents stripe