CID 3160978

2-(morpholin-4-yl)pyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1COCCN1C2=NC=C(C=N2)C=O
InChI
InChI=1S/C9H11N3O2/c13-7-8-5-10-9(11-6-8)12-1-3-14-4-2-12/h5-7H,1-4H2
InChIKey
XDMVIYFKCVJZHK-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

91
Patents

193.08513 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 141.5
[M+Na]+ 216.074348 148.5
[M-H]- 192.077854 144.0
[M+NH4]+ 211.118953 155.0
[M+K]+ 232.048288 147.2
[M+H-H2O]+ 176.082390 131.9
[M+HCOO]- 238.083331 158.8
[M+CH3COO]- 252.098981 180.7
[M+Na-2H]- 214.059796 149.0
[M]+ 193.08458142 139.1
[M]- 193.08567858 139.1
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