CID 24842902

1-(2-guanidinoethyl)-1-methylpiperidinium iodide hydriodide

Structural Information

Molecular Formula
C9H21N4
SMILES
C[N+]1(CCCCC1)CCN=C(N)N
InChI
InChI=1S/C9H21N4/c1-13(6-3-2-4-7-13)8-5-12-9(10)11/h2-8H2,1H3,(H4,10,11,12)/q+1
InChIKey
LQFCZGPXNCYGDN-UHFFFAOYSA-N
Compound name
2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.17662 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.18390 140.4
[M+Na]+ 208.16584 149.6
[M+NH4]+ 203.21044 150.5
[M+K]+ 224.13978 143.1
[M-H]- 184.16934 144.7
[M+Na-2H]- 206.15129 147.1
[M]+ 185.17607 142.9
[M]- 185.17717 142.9
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

No patent data available for this compound.