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]+ 271.23802 156.7
[M+Na]+ 293.21996 167.9
[M+NH4]+ 288.26456 169.4
[M+K]+ 309.19390 161.8
[M-H]- 269.22346 157.5
[M+Na-2H]- 291.20541 157.2
[M]+ 270.23019 159.3
[M]- 270.23129 159.3
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.