CID 3046504

Kuskgigrin dimethiodide

Structural Information

Molecular Formula
C15H30N2O
SMILES
C[N+]1(CCC[C@@H]1CC(=O)C[C@@H]2CCC[N+]2(C)C)C
InChI
InChI=1S/C15H30N2O/c1-16(2)9-5-7-13(16)11-15(18)12-14-8-6-10-17(14,3)4/h13-14H,5-12H2,1-4H3/q+2/t13-,14+
InChIKey
ZVIJSQKDYJOCKW-OKILXGFUSA-N
Compound name
1-[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]-3-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.23581 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.24309 161.4
[M+Na]+ 277.22503 173.4
[M+NH4]+ 272.26963 173.8
[M+K]+ 293.19897 168.3
[M-H]- 253.22853 166.0
[M+Na-2H]- 275.21048 168.6
[M]+ 254.23526 165.2
[M]- 254.23636 165.2
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.