CID 83448

Of-1591

Structural Information

Molecular Formula
C16H32N2O2
SMILES
CC[N+](C)(CC)CCOC(=O)C1C[N+]2(CCC1CC2)C
InChI
InChI=1S/C16H32N2O2/c1-5-17(3,6-2)11-12-20-16(19)15-13-18(4)9-7-14(15)8-10-18/h14-15H,5-13H2,1-4H3/q+2
InChIKey
SBYXDHOFJGBCPN-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-(1-methyl-1-azoniabicyclo[2.2.2]octane-3-carbonyl)oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.24637 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.25365 167.6
[M+Na]+ 307.23559 169.0
[M-H]- 283.23909 163.6
[M+NH4]+ 302.28019 188.3
[M+K]+ 323.20953 157.0
[M+H-H2O]+ 267.24363 167.2
[M+HCOO]- 329.24457 175.4
[M+CH3COO]- 343.26022 198.8
[M+Na-2H]- 305.22104 181.5
[M]+ 284.24582 168.5
[M]- 284.24692 168.5
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.