CID 154643257

2228548-29-4

Structural Information

Molecular Formula

C₇H₉BrN₂O

SMILES

C1=C(C=NC(=N1)CCCO)Br

InChI

InChI=1S/C7H9BrN2O/c8-6-4-9-7(10-5-6)2-1-3-11/h4-5,11H,1-3H2

InChIKey

HZWGOPOVNOLRDS-UHFFFAOYSA-N

Compound name

3-(5-bromopyrimidin-2-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 215.98982 Da
Monoisotopic Mass: 0.9
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]+	216.99710	135.3
[M+Na]+	238.97904	147.2
[M-H]-	214.98254	137.9
[M+NH4]+	234.02364	154.6
[M+K]+	254.95298	136.1
[M+H-H2O]+	198.98708	134.7
[M+HCOO]-	260.98802	154.4
[M+CH3COO]-	275.00367	181.8
[M+Na-2H]-	236.96449	144.6
[M]+	215.98927	154.2
[M]-	215.99037	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe