CID 135418934

4-pyrimidinol, 6-methyl-2-morpholino-

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CC1=CC(=O)NC(=N1)N2CCOCC2
InChI
InChI=1S/C9H13N3O2/c1-7-6-8(13)11-9(10-7)12-2-4-14-5-3-12/h6H,2-5H2,1H3,(H,10,11,13)
InChIKey
PVVUPAOPPVSPAB-UHFFFAOYSA-N
Compound name
4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

7
Patents

195.10077 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 143.2
[M+Na]+ 218.089988 150.7
[M-H]- 194.093494 144.8
[M+NH4]+ 213.134593 156.3
[M+K]+ 234.063928 148.4
[M+H-H2O]+ 178.098030 134.2
[M+HCOO]- 240.098971 159.0
[M+CH3COO]- 254.114621 179.4
[M+Na-2H]- 216.075436 149.4
[M]+ 195.10022142 139.4
[M]- 195.10131858 139.4
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