CID 565855

Pyrimidin-5-ol

Structural Information

Molecular Formula
C4H4N2O
SMILES
C1=C(C=NC=N1)O
InChI
InChI=1S/C4H4N2O/c7-4-1-5-3-6-2-4/h1-3,7H
InChIKey
LTXJLQINBYSQFU-UHFFFAOYSA-N
Compound name
pyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2283
Patents

96.032364 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.039640 113.8
[M+Na]+ 119.02158 123.0
[M-H]- 95.025088 113.8
[M+NH4]+ 114.06619 133.8
[M+K]+ 134.99552 121.8
[M+H-H2O]+ 79.029624 107.5
[M+HCOO]- 141.03056 136.2
[M+CH3COO]- 155.04622 160.9
[M+Na-2H]- 117.00703 124.4
[M]+ 96.031815 112.5
[M]- 96.032913 112.5
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