CID 452906

6br-1-(2ohetome)t

Structural Information

Molecular Formula
C8H11BrN2O4
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)Br
InChI
InChI=1S/C8H11BrN2O4/c1-5-6(9)11(4-15-3-2-12)8(14)10-7(5)13/h12H,2-4H2,1H3,(H,10,13,14)
InChIKey
MAGVEXJBSDQQHN-UHFFFAOYSA-N
Compound name
6-bromo-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.99023 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.99751 144.7
[M+Na]+ 300.97945 158.1
[M-H]- 276.98295 146.7
[M+NH4]+ 296.02405 161.3
[M+K]+ 316.95339 146.2
[M+H-H2O]+ 260.98749 143.8
[M+HCOO]- 322.98843 162.7
[M+CH3COO]- 337.00408 190.2
[M+Na-2H]- 298.96490 150.9
[M]+ 277.98968 165.7
[M]- 277.99078 165.7
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

No patent data available for this compound.