CID 2761037

849021-42-7

Structural Information

Molecular Formula

C₁₀H₁₅BrN₄O

SMILES

C1CN(CCN1CCO)C2=NC=C(C=N2)Br

InChI

InChI=1S/C10H15BrN4O/c11-9-7-12-10(13-8-9)15-3-1-14(2-4-15)5-6-16/h7-8,16H,1-6H2

InChIKey

ZZAGRUBMUDIADL-UHFFFAOYSA-N

Compound name

2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 286.0429 Da
Monoisotopic Mass: 0.5
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]+	287.05018	155.4
[M+Na]+	309.03212	164.9
[M-H]-	285.03562	157.4
[M+NH4]+	304.07672	168.9
[M+K]+	325.00606	153.1
[M+H-H2O]+	269.04016	152.6
[M+HCOO]-	331.04110	168.2
[M+CH3COO]-	345.05675	166.9
[M+Na-2H]-	307.01757	161.8
[M]+	286.04235	170.1
[M]-	286.04345	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe