CID 422224

3-iodopiperidine hydrochloride

Structural Information

Molecular Formula
C5H10IN
SMILES
C1CC(CNC1)I
InChI
InChI=1S/C5H10IN/c6-5-2-1-3-7-4-5/h5,7H,1-4H2
InChIKey
LESPVTBAQQARHX-UHFFFAOYSA-N
Compound name
3-iodopiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

210.9858 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.99308 127.3
[M+Na]+ 233.97502 125.7
[M-H]- 209.97852 120.6
[M+NH4]+ 229.01962 143.1
[M+K]+ 249.94896 130.1
[M+H-H2O]+ 193.98306 118.1
[M+HCOO]- 255.98400 141.0
[M+CH3COO]- 269.99965 172.8
[M+Na-2H]- 231.96047 121.8
[M]+ 210.98525 118.1
[M]- 210.98635 118.1
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