CID 24845566

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

Structural Information

Molecular Formula
C10H23N4
SMILES
C[N+]1(CCCC1)CCCCN=C(N)N
InChI
InChI=1S/C10H23N4/c1-14(8-4-5-9-14)7-3-2-6-13-10(11)12/h2-9H2,1H3,(H4,11,12,13)/q+1
InChIKey
NKYLCNPLCADRKP-UHFFFAOYSA-N
Compound name
2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.19228 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.19956 143.0
[M+Na]+ 222.18150 146.4
[M-H]- 198.18500 144.9
[M+NH4]+ 217.22610 163.5
[M+K]+ 238.15544 139.5
[M+H-H2O]+ 182.18954 138.8
[M+HCOO]- 244.19048 165.8
[M+CH3COO]- 258.20613 185.6
[M+Na-2H]- 220.16695 148.7
[M]+ 199.19173 136.3
[M]- 199.19283 136.3
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.