CID 12210265

4-hydroxypyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C5H3N3O
SMILES
C1=C(C(=O)NC=N1)C#N
InChI
InChI=1S/C5H3N3O/c6-1-4-2-7-3-8-5(4)9/h2-3H,(H,7,8,9)
InChIKey
SVOQOFSQLVVHKQ-UHFFFAOYSA-N
Compound name
6-oxo-1H-pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

121.02761 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.03489 124.1
[M+Na]+ 144.01683 136.7
[M+NH4]+ 139.06143 128.2
[M+K]+ 159.99077 128.2
[M-H]- 120.02033 117.2
[M+Na-2H]- 142.00228 128.5
[M]+ 121.02706 123.0
[M]- 121.02816 123.0
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

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