CID 14242657

121487-13-6

Structural Information

Molecular Formula

C₈H₁₁BrN₂O

SMILES

CC(C)(C)OC1=NC=C(C=N1)Br

InChI

InChI=1S/C8H11BrN2O/c1-8(2,3)12-7-10-4-6(9)5-11-7/h4-5H,1-3H3

InChIKey

UPKQXRBCDUBUTI-UHFFFAOYSA-N

Compound name

5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 230.00548 Da
Monoisotopic Mass: 2.2
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]+	231.01276	142.5
[M+Na]+	252.99470	146.2
[M+NH4]+	248.03930	146.7
[M+K]+	268.96864	146.7
[M-H]-	228.99820	141.7
[M+Na-2H]-	250.98015	146.4
[M]+	230.00493	141.7
[M]-	230.00603	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe