CID 567967

2,4-imidazolidinedione, 5-(4-bromobutyl)-

Structural Information

Molecular Formula
C7H11BrN2O2
SMILES
C(CCBr)CC1C(=O)NC(=O)N1
InChI
InChI=1S/C7H11BrN2O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-4H2,(H2,9,10,11,12)
InChIKey
TWRKXHFCQVEYHI-UHFFFAOYSA-N
Compound name
5-(4-bromobutyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

234.0004 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.00768 144.5
[M+Na]+ 256.98962 155.4
[M-H]- 232.99312 145.4
[M+NH4]+ 252.03422 163.9
[M+K]+ 272.96356 143.2
[M+H-H2O]+ 216.99766 144.0
[M+HCOO]- 278.99860 160.6
[M+CH3COO]- 293.01425 181.6
[M+Na-2H]- 254.97507 148.1
[M]+ 233.99985 159.7
[M]- 234.00095 159.7
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

patents stripe