CID 598996

2-phenylpyrimidin-5-ol

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C(C=C1)C2=NC=C(C=N2)O
InChI
InChI=1S/C10H8N2O/c13-9-6-11-10(12-7-9)8-4-2-1-3-5-8/h1-7,13H
InChIKey
VXOJYMHSOARYSV-UHFFFAOYSA-N
Compound name
2-phenylpyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

172.06366 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 134.3
[M+Na]+ 195.05288 143.2
[M-H]- 171.05638 137.3
[M+NH4]+ 190.09748 151.1
[M+K]+ 211.02682 139.4
[M+H-H2O]+ 155.06092 126.3
[M+HCOO]- 217.06186 156.1
[M+CH3COO]- 231.07751 147.4
[M+Na-2H]- 193.03833 143.6
[M]+ 172.06311 132.9
[M]- 172.06421 132.9
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

patents stripe