CID 64787784

3-(2-iodoethyl)pyridine hydroiodide

Structural Information

Molecular Formula
C7H8IN
SMILES
C1=CC(=CN=C1)CCI
InChI
InChI=1S/C7H8IN/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2
InChIKey
JRMUUDPTFZHBNO-UHFFFAOYSA-N
Compound name
3-(2-iodoethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

232.97015 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.97743 130.9
[M+Na]+ 255.95937 131.9
[M-H]- 231.96287 126.0
[M+NH4]+ 251.00397 146.8
[M+K]+ 271.93331 136.0
[M+H-H2O]+ 215.96741 121.1
[M+HCOO]- 277.96835 149.5
[M+CH3COO]- 291.98400 180.1
[M+Na-2H]- 253.94482 127.8
[M]+ 232.96960 128.2
[M]- 232.97070 128.2
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