CID 3041447

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

Structural Information

Molecular Formula
C19H34NO2
SMILES
CC[N+](CC)(CC)CCOC(=O)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C19H34NO2/c1-4-20(5-2,6-3)7-8-22-18(21)19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,4-14H2,1-3H3/q+1
InChIKey
YGXNEEPQAWLGBH-UHFFFAOYSA-N
Compound name
2-(adamantane-1-carbonyloxy)ethyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

308.25894 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.26622 179.4
[M+Na]+ 331.24816 178.1
[M-H]- 307.25166 174.7
[M+NH4]+ 326.29276 201.1
[M+K]+ 347.22210 170.4
[M+H-H2O]+ 291.25620 175.4
[M+HCOO]- 353.25714 184.1
[M+CH3COO]- 367.27279 212.3
[M+Na-2H]- 329.23361 190.0
[M]+ 308.25839 181.3
[M]- 308.25949 181.3
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

patents stripe