CID 3160979

253315-05-8

Structural Information

Molecular Formula
C9H11N3O3
SMILES
C1COCCN1C2=NC=C(C=N2)C(=O)O
InChI
InChI=1S/C9H11N3O3/c13-8(14)7-5-10-9(11-6-7)12-1-3-15-4-2-12/h5-6H,1-4H2,(H,13,14)
InChIKey
WMPUFHIOPXMZFI-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

161
Patents

209.08005 Da
Monoisotopic Mass

-0.2
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

literature stripe

Patent stripe

patents stripe