CID 82650956

1523245-44-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.02761 Da
Monoisotopic Mass

0.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.