CID 58485286

2-(5-bromopyrimidin-2-yl)propan-2-ol

Structural Information

Molecular Formula
C7H9BrN2O
SMILES
CC(C)(C1=NC=C(C=N1)Br)O
InChI
InChI=1S/C7H9BrN2O/c1-7(2,11)6-9-3-5(8)4-10-6/h3-4,11H,1-2H3
InChIKey
MLMQILHYEBYWHX-UHFFFAOYSA-N
Compound name
2-(5-bromopyrimidin-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

215.98982 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.99710 139.0
[M+Na]+ 238.97904 142.4
[M+NH4]+ 234.02364 143.0
[M+K]+ 254.95298 143.4
[M-H]- 214.98254 137.8
[M+Na-2H]- 236.96449 142.5
[M]+ 215.98927 138.0
[M]- 215.99037 138.0
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