CID 6450972

1-(2ohetome)-6mevinylt

Structural Information

Molecular Formula
C11H16N2O4
SMILES
C/C=C\C1=C(C(=O)NC(=O)N1COCCO)C
InChI
InChI=1S/C11H16N2O4/c1-3-4-9-8(2)10(15)12-11(16)13(9)7-17-6-5-14/h3-4,14H,5-7H2,1-2H3,(H,12,15,16)/b4-3-
InChIKey
LEKVAAOSHBGFQT-ARJAWSKDSA-N
Compound name
1-(2-hydroxyethoxymethyl)-5-methyl-6-[(Z)-prop-1-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

240.11101 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 151.5
[M+Na]+ 263.10023 161.6
[M-H]- 239.10373 150.5
[M+NH4]+ 258.14483 165.9
[M+K]+ 279.07417 157.5
[M+H-H2O]+ 223.10827 144.6
[M+HCOO]- 285.10921 171.2
[M+CH3COO]- 299.12486 187.7
[M+Na-2H]- 261.08568 154.9
[M]+ 240.11046 154.6
[M]- 240.11156 154.6
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