CID 3474051

Ac1mru7h

Structural Information

Molecular Formula
C8H11BrN2O2
SMILES
CC1=CC(=O)N(C(=O)N1CCBr)C
InChI
InChI=1S/C8H11BrN2O2/c1-6-5-7(12)10(2)8(13)11(6)4-3-9/h5H,3-4H2,1-2H3
InChIKey
RVDWHTNPQATQTO-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3,6-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0004 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.00768 137.4
[M+Na]+ 268.98962 152.4
[M-H]- 244.99312 142.3
[M+NH4]+ 264.03422 157.0
[M+K]+ 284.96356 141.2
[M+H-H2O]+ 228.99766 136.9
[M+HCOO]- 290.99860 158.1
[M+CH3COO]- 305.01425 190.8
[M+Na-2H]- 266.97507 144.8
[M]+ 245.99985 159.5
[M]- 246.00095 159.5
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.