CID 4641125

1-(5-bromopyrimidin-2-yl)piperidin-4-ol

Structural Information

Molecular Formula
C9H12BrN3O
SMILES
C1CN(CCC1O)C2=NC=C(C=N2)Br
InChI
InChI=1S/C9H12BrN3O/c10-7-5-11-9(12-6-7)13-3-1-8(14)2-4-13/h5-6,8,14H,1-4H2
InChIKey
KHDDJQBUJMYKAY-UHFFFAOYSA-N
Compound name
1-(5-bromopyrimidin-2-yl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

257.01636 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.023636 147.7
[M+Na]+ 280.005578 157.7
[M-H]- 256.009084 151.3
[M+NH4]+ 275.050183 163.7
[M+K]+ 295.979518 146.3
[M+H-H2O]+ 240.013620 145.9
[M+HCOO]- 302.014561 162.2
[M+CH3COO]- 316.030211 160.4
[M+Na-2H]- 277.991026 154.7
[M]+ 257.01581142 161.7
[M]- 257.01690858 161.7
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