CID 99305

5-vinyluracil

Structural Information

Molecular Formula
C6H6N2O2
SMILES
C=CC1=CNC(=O)NC1=O
InChI
InChI=1S/C6H6N2O2/c1-2-4-3-7-6(10)8-5(4)9/h2-3H,1H2,(H2,7,8,9,10)
InChIKey
ZRYZBEQILKESAW-UHFFFAOYSA-N
Compound name
5-ethenyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

792
Patents

138.04292 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05020 123.8
[M+Na]+ 161.03214 134.4
[M-H]- 137.03564 122.8
[M+NH4]+ 156.07674 141.8
[M+K]+ 177.00608 130.3
[M+H-H2O]+ 121.04018 117.8
[M+HCOO]- 183.04112 144.7
[M+CH3COO]- 197.05677 166.3
[M+Na-2H]- 159.01759 131.1
[M]+ 138.04237 121.4
[M]- 138.04347 121.4
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