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 141.4
[M+Na]+ 249.99503 152.3
[M-H]- 225.99853 145.4
[M+NH4]+ 245.03963 160.3
[M+K]+ 265.96897 141.0
[M+H-H2O]+ 210.00307 140.0
[M+HCOO]- 272.00401 158.4
[M+CH3COO]- 286.01966 155.2
[M+Na-2H]- 247.98048 147.9
[M]+ 227.00526 155.5
[M]- 227.00636 155.5
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.