CID 113790

Of-1571

Structural Information

Molecular Formula
C17H34N2O2
SMILES
CC[N+](C)(CC)CCOC(=O)CC1C[N+]2(CCC1CC2)C
InChI
InChI=1S/C17H34N2O2/c1-5-18(3,6-2)11-12-21-17(20)13-16-14-19(4)9-7-15(16)8-10-19/h15-16H,5-14H2,1-4H3/q+2
InChIKey
BVCNHMNMTOJLCL-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[2-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)acetyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.26202 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.26930 172.3
[M+Na]+ 321.25124 173.3
[M-H]- 297.25474 168.1
[M+NH4]+ 316.29584 192.5
[M+K]+ 337.22518 161.1
[M+H-H2O]+ 281.25928 171.8
[M+HCOO]- 343.26022 179.8
[M+CH3COO]- 357.27587 201.7
[M+Na-2H]- 319.23669 185.7
[M]+ 298.26147 173.5
[M]- 298.26257 173.5
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.