CID 16427141

5-bromo-2-ethoxypyrimidine

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
CCOC1=NC=C(C=N1)Br
InChI
InChI=1S/C6H7BrN2O/c1-2-10-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3
InChIKey
GNSREVHIXMTHFA-UHFFFAOYSA-N
Compound name
5-bromo-2-ethoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

201.97418 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe