CID 45787511

4-bromo-2-(pyrrolidin-1-yl)pyrimidine

Structural Information

Molecular Formula
C8H10BrN3
SMILES
C1CCN(C1)C2=NC=CC(=N2)Br
InChI
InChI=1S/C8H10BrN3/c9-7-3-4-10-8(11-7)12-5-1-2-6-12/h3-4H,1-2,5-6H2
InChIKey
XINLHXGETKGJNE-UHFFFAOYSA-N
Compound name
4-bromo-2-pyrrolidin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

227.00581 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.013086 140.5
[M+Na]+ 249.995028 151.9
[M-H]- 225.998534 145.8
[M+NH4]+ 245.039633 160.1
[M+K]+ 265.968968 141.5
[M+H-H2O]+ 210.003070 138.9
[M+HCOO]- 272.004011 158.9
[M+CH3COO]- 286.019661 154.9
[M+Na-2H]- 247.980476 147.5
[M]+ 227.00526142 156.4
[M]- 227.00635858 156.4
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

patents stripe