CID 24845568

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

Structural Information

Molecular Formula
C8H19N4
SMILES
C[N+]1(CCCC1)CCN=C(N)N
InChI
InChI=1S/C8H19N4/c1-12(5-2-3-6-12)7-4-11-8(9)10/h2-7H2,1H3,(H4,9,10,11)/q+1
InChIKey
FFISHJWNOKUZKD-UHFFFAOYSA-N
Compound name
2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.16096 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.16824 134.1
[M+Na]+ 194.15018 138.4
[M-H]- 170.15368 136.3
[M+NH4]+ 189.19478 155.7
[M+K]+ 210.12412 132.0
[M+H-H2O]+ 154.15822 130.3
[M+HCOO]- 216.15916 157.6
[M+CH3COO]- 230.17481 179.5
[M+Na-2H]- 192.13563 140.7
[M]+ 171.16041 126.7
[M]- 171.16151 126.7
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.