CID 21539608

4-iodo-1-methylpiperidine hydrochloride

Structural Information

Molecular Formula
C6H12IN
SMILES
CN1CCC(CC1)I
InChI
InChI=1S/C6H12IN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
InChIKey
ROCGMCUXLYBSQC-UHFFFAOYSA-N
Compound name
4-iodo-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

225.00145 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.00873 129.2
[M+Na]+ 247.99067 128.5
[M-H]- 223.99417 124.0
[M+NH4]+ 243.03527 145.5
[M+K]+ 263.96461 133.6
[M+H-H2O]+ 207.99871 119.9
[M+HCOO]- 269.99965 144.0
[M+CH3COO]- 284.01530 179.2
[M+Na-2H]- 245.97612 123.1
[M]+ 225.00090 122.5
[M]- 225.00200 122.5
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