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

114
Patents

215.98982 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.997096 137.1
[M+Na]+ 238.979038 149.4
[M-H]- 214.982544 140.0
[M+NH4]+ 234.023643 156.4
[M+K]+ 254.952978 138.6
[M+H-H2O]+ 198.987080 137.1
[M+HCOO]- 260.988021 154.6
[M+CH3COO]- 275.003671 182.1
[M+Na-2H]- 236.964486 146.8
[M]+ 215.98927142 155.4
[M]- 215.99036858 155.4
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