CID 135403423

6-methyl-2-(phenoxymethyl)-4-pyrimidinol

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC1=CC(=O)NC(=N1)COC2=CC=CC=C2
InChI
InChI=1S/C12H12N2O2/c1-9-7-12(15)14-11(13-9)8-16-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKey
UPJXMALCICTFAA-UHFFFAOYSA-N
Compound name
4-methyl-2-(phenoxymethyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 146.9
[M+Na]+ 239.07909 162.2
[M+NH4]+ 234.12369 154.5
[M+K]+ 255.05303 155.0
[M-H]- 215.08259 149.7
[M+Na-2H]- 237.06454 156.2
[M]+ 216.08932 149.9
[M]- 216.09042 149.9
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

No patent data available for this compound.