CID 25150069

5-bromo-2-ethylpyrimidine

Structural Information

Molecular Formula
C6H7BrN2
SMILES
CCC1=NC=C(C=N1)Br
InChI
InChI=1S/C6H7BrN2/c1-2-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3
InChIKey
SQOJDBHJUUGQJP-UHFFFAOYSA-N
Compound name
5-bromo-2-ethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

295
Patents

185.97926 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 126.9
[M+Na]+ 208.96848 139.8
[M-H]- 184.97198 131.0
[M+NH4]+ 204.01308 148.1
[M+K]+ 224.94242 129.5
[M+H-H2O]+ 168.97652 126.7
[M+HCOO]- 230.97746 147.6
[M+CH3COO]- 244.99311 179.7
[M+Na-2H]- 206.95393 137.4
[M]+ 185.97871 145.9
[M]- 185.97981 145.9
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

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