CID 3041519

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

Structural Information

Molecular Formula
C20H39N2
SMILES
CCN(CC[N+](CC)(CC)CC)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C20H39N2/c1-5-21(9-10-22(6-2,7-3)8-4)20-14-17-11-18(15-20)13-19(12-17)16-20/h17-19H,5-16H2,1-4H3/q+1
InChIKey
NMCVUONAKBLOSI-UHFFFAOYSA-N
Compound name
2-[1-adamantyl(ethyl)amino]ethyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.3113 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.31858 180.2
[M+Na]+ 330.30052 177.7
[M-H]- 306.30402 176.3
[M+NH4]+ 325.34512 202.3
[M+K]+ 346.27446 170.2
[M+H-H2O]+ 290.30856 175.3
[M+HCOO]- 352.30950 186.4
[M+CH3COO]- 366.32515 220.0
[M+Na-2H]- 328.28597 190.5
[M]+ 307.31075 181.1
[M]- 307.31185 181.1
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.