CID 3041451

Ethanaminium, n-ethyl-n,n-dimethyl-2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-, iodide

Structural Information

Molecular Formula
C17H31N2O
SMILES
CC[N+](C)(C)CCNC(=O)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C17H30N2O/c1-4-19(2,3)6-5-18-16(20)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,4-12H2,1-3H3/p+1
InChIKey
KESWLDXWADIXAO-UHFFFAOYSA-O
Compound name
2-(adamantane-1-carbonylamino)ethyl-ethyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.24365 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.25093 167.5
[M+Na]+ 302.23287 166.4
[M-H]- 278.23637 163.1
[M+NH4]+ 297.27747 190.2
[M+K]+ 318.20681 158.9
[M+H-H2O]+ 262.24091 164.0
[M+HCOO]- 324.24185 173.8
[M+CH3COO]- 338.25750 209.3
[M+Na-2H]- 300.21832 179.8
[M]+ 279.24310 166.9
[M]- 279.24420 166.9
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.