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

74
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 119.4
[M+Na]+ 144.01683 130.2
[M-H]- 120.02033 118.9
[M+NH4]+ 139.06143 136.4
[M+K]+ 159.99077 128.3
[M+H-H2O]+ 104.02487 106.1
[M+HCOO]- 166.02581 137.7
[M+CH3COO]- 180.04146 180.1
[M+Na-2H]- 142.00228 128.0
[M]+ 121.02706 113.6
[M]- 121.02816 113.6
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