CID 4641125

887425-47-0

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.02364	150.6
[M+Na]+	280.00558	154.0
[M+NH4]+	275.05018	154.6
[M+K]+	295.97952	154.0
[M-H]-	256.00908	151.1
[M+Na-2H]-	277.99103	154.2
[M]+	257.01581	149.9
[M]-	257.01691	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe