CID 113800

Of-1644

Structural Information

Molecular Formula
C18H34N2O
SMILES
CC1C[N+]2(CCC1CC2)COC[N+]34CCC(CC3)C(C4)C
InChI
InChI=1S/C18H34N2O/c1-15-11-19(7-3-17(15)4-8-19)13-21-14-20-9-5-18(6-10-20)16(2)12-20/h15-18H,3-14H2,1-2H3/q+2
InChIKey
OLBBSWOYXUMZTQ-UHFFFAOYSA-N
Compound name
3-methyl-1-[(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)methoxymethyl]-1-azoniabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.26712 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.27440 161.6
[M+Na]+ 317.25634 158.7
[M-H]- 293.25984 151.5
[M+NH4]+ 312.30094 182.9
[M+K]+ 333.23028 144.4
[M+H-H2O]+ 277.26438 153.6
[M+HCOO]- 339.26532 155.6
[M+CH3COO]- 353.28097 204.0
[M+Na-2H]- 315.24179 174.9
[M]+ 294.26657 158.0
[M]- 294.26767 158.0
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.