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 162.5
[M+Na]+ 293.21996 164.0
[M-H]- 269.22346 158.7
[M+NH4]+ 288.26456 183.7
[M+K]+ 309.19390 152.7
[M+H-H2O]+ 253.22800 162.6
[M+HCOO]- 315.22894 169.6
[M+CH3COO]- 329.24459 196.5
[M+Na-2H]- 291.20541 175.8
[M]+ 270.23019 162.4
[M]- 270.23129 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.