CID 24842900

1-(4-guanidinobutyl)-1-methylpiperidinium iodide hydriodide

Structural Information

Molecular Formula
C11H25N4
SMILES
C[N+]1(CCCCC1)CCCCN=C(N)N
InChI
InChI=1S/C11H25N4/c1-15(8-4-2-5-9-15)10-6-3-7-14-11(12)13/h2-10H2,1H3,(H4,12,13,14)/q+1
InChIKey
LIXAAIFIZWGSBJ-UHFFFAOYSA-N
Compound name
2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.20792 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.21520 147.8
[M+Na]+ 236.19714 150.1
[M-H]- 212.20064 149.2
[M+NH4]+ 231.24174 166.0
[M+K]+ 252.17108 143.0
[M+H-H2O]+ 196.20518 143.6
[M+HCOO]- 258.20612 168.2
[M+CH3COO]- 272.22177 189.0
[M+Na-2H]- 234.18259 154.0
[M]+ 213.20737 139.6
[M]- 213.20847 139.6
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.