CID 85864

Of-1703

Structural Information

Molecular Formula
C15H30N2O2
SMILES
CC(COC(=O)C1CC2CC[N+]1(CC2)C)[N+](C)(C)C
InChI
InChI=1S/C15H30N2O2/c1-12(16(2,3)4)11-19-15(18)14-10-13-6-8-17(14,5)9-7-13/h12-14H,6-11H2,1-5H3/q+2
InChIKey
RBRODONAZYQAJP-UHFFFAOYSA-N
Compound name
trimethyl-[1-(1-methyl-1-azoniabicyclo[2.2.2]octane-2-carbonyl)oxypropan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.23074 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.238016 162.5
[M+Na]+ 293.219958 164.0
[M-H]- 269.223464 158.7
[M+NH4]+ 288.264563 183.7
[M+K]+ 309.193898 152.7
[M+H-H2O]+ 253.228000 162.6
[M+HCOO]- 315.228941 169.6
[M+CH3COO]- 329.244591 196.5
[M+Na-2H]- 291.205406 175.8
[M]+ 270.23019142 162.4
[M]- 270.23128858 162.4
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.