CID 453567

78097-11-7

Structural Information

Molecular Formula
C7H9BrN2O4
SMILES
C1=C(C(=O)NC(=O)N1COCCO)Br
InChI
InChI=1S/C7H9BrN2O4/c8-5-3-10(4-14-2-1-11)7(13)9-6(5)12/h3,11H,1-2,4H2,(H,9,12,13)
InChIKey
LXUJYJGKHLVRJG-UHFFFAOYSA-N
Compound name
5-bromo-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

263.97458 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98186 140.5
[M+Na]+ 286.96380 153.5
[M-H]- 262.96730 142.3
[M+NH4]+ 282.00840 157.3
[M+K]+ 302.93774 141.8
[M+H-H2O]+ 246.97184 139.6
[M+HCOO]- 308.97278 158.9
[M+CH3COO]- 322.98843 186.2
[M+Na-2H]- 284.94925 147.9
[M]+ 263.97403 160.8
[M]- 263.97513 160.8
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