CID 14341511

4-methylpyrimidin-5-ol

Structural Information

Molecular Formula
C5H6N2O
SMILES
CC1=NC=NC=C1O
InChI
InChI=1S/C5H6N2O/c1-4-5(8)2-6-3-7-4/h2-3,8H,1H3
InChIKey
WPXHBJUNZGWFJD-UHFFFAOYSA-N
Compound name
4-methylpyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

110.04801 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 118.6
[M+Na]+ 133.03723 132.3
[M+NH4]+ 128.08183 126.9
[M+K]+ 149.01117 126.6
[M-H]- 109.04073 119.4
[M+Na-2H]- 131.02268 126.3
[M]+ 110.04746 120.7
[M]- 110.04856 120.7
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