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]+ 202.98146 130.1
[M+Na]+ 224.96340 144.2
[M-H]- 200.96690 133.6
[M+NH4]+ 220.00800 150.5
[M+K]+ 240.93734 133.2
[M+H-H2O]+ 184.97144 130.1
[M+HCOO]- 246.97238 149.5
[M+CH3COO]- 260.98803 181.1
[M+Na-2H]- 222.94885 138.6
[M]+ 201.97363 149.3
[M]- 201.97473 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