CID 63868414

1246922-88-2

Structural Information

Molecular Formula

C₆H₇BrN₂O₂

SMILES

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

InChI

InChI=1S/C6H7BrN2O2/c7-5-3-8-6(9-4-5)11-2-1-10/h3-4,10H,1-2H2

InChIKey

IZOVVFPEDIYGKF-UHFFFAOYSA-N

Compound name

2-(5-bromopyrimidin-2-yl)oxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 217.96909 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]+	218.976366	133.2
[M+Na]+	240.958308	145.3
[M-H]-	216.961814	135.9
[M+NH4]+	236.002913	152.3
[M+K]+	256.932248	134.9
[M+H-H2O]+	200.966350	132.6
[M+HCOO]-	262.967291	152.8
[M+CH3COO]-	276.982941	180.9
[M+Na-2H]-	238.943756	143.0
[M]+	217.96854142	153.0
[M]-	217.96963858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe