CID 4961987

14903-94-7

Structural Information

Molecular Formula
C8H11BrN2O3
SMILES
CCOC(=O)C1=C(NC(=O)NC1)CBr
InChI
InChI=1S/C8H11BrN2O3/c1-2-14-7(12)5-4-10-8(13)11-6(5)3-9/h2-4H2,1H3,(H2,10,11,13)
InChIKey
XCSPAPSTDLJWOA-UHFFFAOYSA-N
Compound name
ethyl 6-(bromomethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.9953 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00258 147.4
[M+Na]+ 284.98452 157.3
[M-H]- 260.98802 148.1
[M+NH4]+ 280.02912 163.9
[M+K]+ 300.95846 145.7
[M+H-H2O]+ 244.99256 146.5
[M+HCOO]- 306.99350 161.7
[M+CH3COO]- 321.00915 186.5
[M+Na-2H]- 282.96997 151.8
[M]+ 261.99475 163.0
[M]- 261.99585 163.0
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

No patent data available for this compound.