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

51
Patents

257.01636 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.02364 147.7
[M+Na]+ 280.00558 157.7
[M-H]- 256.00908 151.3
[M+NH4]+ 275.05018 163.7
[M+K]+ 295.97952 146.3
[M+H-H2O]+ 240.01362 145.9
[M+HCOO]- 302.01456 162.2
[M+CH3COO]- 316.03021 160.4
[M+Na-2H]- 277.99103 154.7
[M]+ 257.01581 161.7
[M]- 257.01691 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