CID 11500225

1-(3-iodopyridin-2-yl)piperazine

Structural Information

Molecular Formula
C9H12IN3
SMILES
C1CN(CCN1)C2=C(C=CC=N2)I
InChI
InChI=1S/C9H12IN3/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
InChIKey
YEMFQTAXPFSLAE-UHFFFAOYSA-N
Compound name
1-(3-iodopyridin-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
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

literature stripe

Patent stripe

patents stripe