CID 89881653

5-bromo-2-(methoxymethyl)pyrimidine

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
COCC1=NC=C(C=N1)Br
InChI
InChI=1S/C6H7BrN2O/c1-10-4-6-8-2-5(7)3-9-6/h2-3H,4H2,1H3
InChIKey
HBFDTJFYQNXSOG-UHFFFAOYSA-N
Compound name
5-bromo-2-(methoxymethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

201.97418 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.981456 129.7
[M+Na]+ 224.963398 142.4
[M-H]- 200.966904 133.7
[M+NH4]+ 220.008003 150.2
[M+K]+ 240.937338 132.5
[M+H-H2O]+ 184.971440 129.1
[M+HCOO]- 246.972381 150.5
[M+CH3COO]- 260.988031 181.5
[M+Na-2H]- 222.948846 140.1
[M]+ 201.97363142 150.0
[M]- 201.97472858 150.0
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

patents stripe