CID 608811

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

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
CC1=C(C(=NC(=O)N1)C)Br
InChI
InChI=1S/C6H7BrN2O/c1-3-5(7)4(2)9-6(10)8-3/h1-2H3,(H,8,9,10)
InChIKey
YIOKKPFNMLYMET-UHFFFAOYSA-N
Compound name
5-bromo-4,6-dimethyl-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

201.97418 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 128.9
[M+Na]+ 224.96340 143.2
[M-H]- 200.96690 132.4
[M+NH4]+ 220.00800 149.3
[M+K]+ 240.93734 131.7
[M+H-H2O]+ 184.97144 129.0
[M+HCOO]- 246.97238 148.5
[M+CH3COO]- 260.98803 180.4
[M+Na-2H]- 222.94885 137.4
[M]+ 201.97363 147.5
[M]- 201.97473 147.5
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