CID 63317319

5-bromo-2-(pyrrolidin-2-yl)pyrimidine hydrochloride

Structural Information

Molecular Formula
C8H10BrN3
SMILES
C1CC(NC1)C2=NC=C(C=N2)Br
InChI
InChI=1S/C8H10BrN3/c9-6-4-11-8(12-5-6)7-2-1-3-10-7/h4-5,7,10H,1-3H2
InChIKey
VRWNNUCLJLQNND-UHFFFAOYSA-N
Compound name
5-bromo-2-pyrrolidin-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.00581 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01309 147.7
[M+Na]+ 249.99503 150.4
[M+NH4]+ 245.03963 152.0
[M+K]+ 265.96897 151.6
[M-H]- 225.99853 147.8
[M+Na-2H]- 247.98048 151.0
[M]+ 227.00526 146.7
[M]- 227.00636 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.