CID 17750162

1-(5-iodopyridin-2-yl)piperazine

Structural Information

Molecular Formula
C9H12IN3
SMILES
C1CN(CCN1)C2=NC=C(C=C2)I
InChI
InChI=1S/C9H12IN3/c10-8-1-2-9(12-7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
InChIKey
MKKJIJFTSAYHBW-UHFFFAOYSA-N
Compound name
1-(5-iodopyridin-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

289.0076 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.01488 142.9
[M+Na]+ 311.99682 141.9
[M-H]- 288.00032 136.2
[M+NH4]+ 307.04142 152.9
[M+K]+ 327.97076 144.0
[M+H-H2O]+ 272.00486 130.5
[M+HCOO]- 334.00580 154.2
[M+CH3COO]- 348.02145 149.5
[M+Na-2H]- 309.98227 137.7
[M]+ 289.00705 133.9
[M]- 289.00815 133.9
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