CID 136210953

1192064-61-1

Structural Information

Molecular Formula
C5H3N3O
SMILES
C1=C(N=CNC1=O)C#N
InChI
InChI=1S/C5H3N3O/c6-2-4-1-5(9)8-3-7-4/h1,3H,(H,7,8,9)
InChIKey
UKIHWDBYRWTOBR-UHFFFAOYSA-N
Compound name
6-oxo-1H-pyrimidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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

No literature data available for this compound.

Patent stripe

patents stripe