CID 167737496

2-bromo-4,6-dimethylpyrimidin-5-ol

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
CC1=C(C(=NC(=N1)Br)C)O
InChI
InChI=1S/C6H7BrN2O/c1-3-5(10)4(2)9-6(7)8-3/h10H,1-2H3
InChIKey
VAZOAQUMGJSRTR-UHFFFAOYSA-N
Compound name
2-bromo-4,6-dimethylpyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

201.97418 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.981456 130.1
[M+Na]+ 224.963398 144.2
[M-H]- 200.966904 133.6
[M+NH4]+ 220.008003 150.5
[M+K]+ 240.937338 133.2
[M+H-H2O]+ 184.971440 130.1
[M+HCOO]- 246.972381 149.5
[M+CH3COO]- 260.988031 181.1
[M+Na-2H]- 222.948846 138.6
[M]+ 201.97363142 149.3
[M]- 201.97472858 149.3
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

patents stripe