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]+ 228.013086 141.4
[M+Na]+ 249.995028 152.3
[M-H]- 225.998534 145.4
[M+NH4]+ 245.039633 160.3
[M+K]+ 265.968968 141.0
[M+H-H2O]+ 210.003070 140.0
[M+HCOO]- 272.004011 158.4
[M+CH3COO]- 286.019661 155.2
[M+Na-2H]- 247.980476 147.9
[M]+ 227.00526142 155.5
[M]- 227.00635858 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.