CID 34180809

2-(piperazin-1-yl)pyrimidin-5-ol

Structural Information

Molecular Formula
C8H12N4O
SMILES
C1CN(CCN1)C2=NC=C(C=N2)O
InChI
InChI=1S/C8H12N4O/c13-7-5-10-8(11-6-7)12-3-1-9-2-4-12/h5-6,9,13H,1-4H2
InChIKey
QLKRAKYZQCJDSA-UHFFFAOYSA-N
Compound name
2-piperazin-1-ylpyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

180.1011 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10838 141.5
[M+Na]+ 203.09032 147.7
[M-H]- 179.09382 139.3
[M+NH4]+ 198.13492 154.1
[M+K]+ 219.06426 143.7
[M+H-H2O]+ 163.09836 132.0
[M+HCOO]- 225.09930 155.2
[M+CH3COO]- 239.11495 151.3
[M+Na-2H]- 201.07577 147.9
[M]+ 180.10055 134.3
[M]- 180.10165 134.3
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