CID 208318

31991-90-9

Structural Information

Molecular Formula
C11H15BrN2O2
SMILES
CC1=C(C(=O)N(C(=O)N1C2CCCC2)C)Br
InChI
InChI=1S/C11H15BrN2O2/c1-7-9(12)10(15)13(2)11(16)14(7)8-5-3-4-6-8/h8H,3-6H2,1-2H3
InChIKey
REEUQZUMFVRILK-UHFFFAOYSA-N
Compound name
5-bromo-1-cyclopentyl-3,6-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.03168 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03896 153.2
[M+Na]+ 309.02090 166.9
[M-H]- 285.02440 160.8
[M+NH4]+ 304.06550 172.7
[M+K]+ 324.99484 155.5
[M+H-H2O]+ 269.02894 152.4
[M+HCOO]- 331.02988 172.4
[M+CH3COO]- 345.04553 196.9
[M+Na-2H]- 307.00635 156.0
[M]+ 286.03113 172.3
[M]- 286.03223 172.3
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.