CID 165739712

4-(bromomethyl)-6-methoxypyrimidine

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

COC1=NC=NC(=C1)CBr

InChI

InChI=1S/C6H7BrN2O/c1-10-6-2-5(3-7)8-4-9-6/h2,4H,3H2,1H3

InChIKey

NTVYXVDQBJKRTH-UHFFFAOYSA-N

Compound name

4-(bromomethyl)-6-methoxypyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.97418 Da
Monoisotopic Mass: 1.1
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]+	202.98146	129.7
[M+Na]+	224.96340	142.4
[M-H]-	200.96690	133.7
[M+NH4]+	220.00800	150.2
[M+K]+	240.93734	132.5
[M+H-H2O]+	184.97144	129.1
[M+HCOO]-	246.97238	150.5
[M+CH3COO]-	260.98803	181.5
[M+Na-2H]-	222.94885	140.1
[M]+	201.97363	150.0
[M]-	201.97473	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.