CID 3041517

N,n,n-triethyl-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-yloxy)ethanaminium iodide

Structural Information

Molecular Formula
C18H34NO
SMILES
CC[N+](CC)(CC)CCOC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C18H34NO/c1-4-19(5-2,6-3)7-8-20-18-12-15-9-16(13-18)11-17(10-15)14-18/h15-17H,4-14H2,1-3H3/q+1
InChIKey
WYVPPTYATHNJGR-UHFFFAOYSA-N
Compound name
2-(1-adamantyloxy)ethyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.26404 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.27132 172.7
[M+Na]+ 303.25326 171.9
[M-H]- 279.25676 168.3
[M+NH4]+ 298.29786 195.7
[M+K]+ 319.22720 164.0
[M+H-H2O]+ 263.26130 168.5
[M+HCOO]- 325.26224 178.5
[M+CH3COO]- 339.27789 208.4
[M+Na-2H]- 301.23871 184.5
[M]+ 280.26349 174.2
[M]- 280.26459 174.2
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.