CID 45080096

5-hydroxypyrimidine-2-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

121.02761 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.03489 123.9
[M+Na]+ 144.01683 136.5
[M+NH4]+ 139.06143 128.2
[M+K]+ 159.99077 128.1
[M-H]- 120.02033 117.2
[M+Na-2H]- 142.00228 128.5
[M]+ 121.02706 122.8
[M]- 121.02816 122.8
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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