CID 15729876

5-iodo-2-(piperazin-1-yl)pyrimidine

Structural Information

Molecular Formula
C8H11IN4
SMILES
C1CN(CCN1)C2=NC=C(C=N2)I
InChI
InChI=1S/C8H11IN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
InChIKey
DITGPXZBELUIBR-UHFFFAOYSA-N
Compound name
5-iodo-2-piperazin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

290.00284 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01012 141.8
[M+Na]+ 312.99206 141.4
[M-H]- 288.99556 134.0
[M+NH4]+ 308.03666 150.5
[M+K]+ 328.96600 143.4
[M+H-H2O]+ 273.00010 128.8
[M+HCOO]- 335.00104 152.2
[M+CH3COO]- 349.01669 148.1
[M+Na-2H]- 310.97751 137.3
[M]+ 290.00229 133.0
[M]- 290.00339 133.0
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