CID 376599

1-(allyloxymethyl)uracil

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C=CCOCN1C=CC(=O)NC1=O
InChI
InChI=1S/C8H10N2O3/c1-2-5-13-6-10-4-3-7(11)9-8(10)12/h2-4H,1,5-6H2,(H,9,11,12)
InChIKey
QWZTZUYUCDFXJV-UHFFFAOYSA-N
Compound name
1-(prop-2-enoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 134.6
[M+Na]+ 205.05836 144.7
[M-H]- 181.06186 134.7
[M+NH4]+ 200.10296 151.5
[M+K]+ 221.03230 141.5
[M+H-H2O]+ 165.06640 127.7
[M+HCOO]- 227.06734 156.6
[M+CH3COO]- 241.08299 177.1
[M+Na-2H]- 203.04381 141.5
[M]+ 182.06859 136.3
[M]- 182.06969 136.3
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