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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 133.8
[M+Na]+ 224.96340 138.1
[M+NH4]+ 220.00800 138.4
[M+K]+ 240.93734 138.0
[M-H]- 200.96690 133.6
[M+Na-2H]- 222.94885 138.2
[M]+ 201.97363 133.1
[M]- 201.97473 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.