CID 71520

Dimecolin

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
3
Annotation Hits

10
References

462
Patents

258.23074 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.238016 157.0
[M+Na]+ 281.219958 161.9
[M-H]- 257.223464 160.4
[M+NH4]+ 276.264563 175.2
[M+K]+ 297.193898 150.7
[M+H-H2O]+ 241.228000 157.1
[M+HCOO]- 303.228941 173.9
[M+CH3COO]- 317.244591 190.1
[M+Na-2H]- 279.205406 165.4
[M]+ 258.23019142 154.7
[M]- 258.23128858 154.7
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

patents stripe