CID 71520

Dimecolonium iodide

Structural Information

Molecular Formula
C14H30N2O2
SMILES
CC1CCCC([N+]1(C)C)C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C14H30N2O2/c1-12-8-7-9-13(16(12,5)6)14(17)18-11-10-15(2,3)4/h12-13H,7-11H2,1-6H3/q+2
InChIKey
ZRPJBDLMSFSJJW-UHFFFAOYSA-N
Compound name
trimethyl-[2-(1,1,6-trimethylpiperidin-1-ium-2-carbonyl)oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

152
Patents

258.23074 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.23802 159.9
[M+Na]+ 281.21996 172.9
[M+NH4]+ 276.26456 170.5
[M+K]+ 297.19390 167.0
[M-H]- 257.22346 164.3
[M+Na-2H]- 279.20541 166.7
[M]+ 258.23019 163.8
[M]- 258.23129 163.8
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

patents stripe