CID 6450912

91897-93-7

Structural Information

Molecular Formula
C9H11BrN2O4
SMILES
C1=C(C(=O)NC(=O)N1COCCO)/C=C/Br
InChI
InChI=1S/C9H11BrN2O4/c10-2-1-7-5-12(6-16-4-3-13)9(15)11-8(7)14/h1-2,5,13H,3-4,6H2,(H,11,14,15)/b2-1+
InChIKey
GXEPLXWBFAYHRU-OWOJBTEDSA-N
Compound name
5-[(E)-2-bromoethenyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

289.99023 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99751 148.1
[M+Na]+ 312.97945 160.7
[M-H]- 288.98295 149.7
[M+NH4]+ 308.02405 164.0
[M+K]+ 328.95339 148.0
[M+H-H2O]+ 272.98749 147.0
[M+HCOO]- 334.98843 166.1
[M+CH3COO]- 349.00408 190.4
[M+Na-2H]- 310.96490 154.5
[M]+ 289.98968 168.4
[M]- 289.99078 168.4
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.