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

107
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 137.1
[M+Na]+ 238.97904 149.4
[M-H]- 214.98254 140.0
[M+NH4]+ 234.02364 156.4
[M+K]+ 254.95298 138.6
[M+H-H2O]+ 198.98708 137.1
[M+HCOO]- 260.98802 154.6
[M+CH3COO]- 275.00367 182.1
[M+Na-2H]- 236.96449 146.8
[M]+ 215.98927 155.4
[M]- 215.99037 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