CID 64224

(2-(1-adamantylcarbamoyl)ethyl)diethylmethylammonium iodide

Structural Information

Molecular Formula
C18H33N2O
SMILES
CC[N+](C)(CC)CCC(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C18H32N2O/c1-4-20(3,5-2)7-6-17(21)19-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,4-13H2,1-3H3/p+1
InChIKey
YWPSNBLCIFPTPK-UHFFFAOYSA-O
Compound name
[3-(1-adamantylamino)-3-oxopropyl]-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.25928 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.266556 172.2
[M+Na]+ 316.248498 170.6
[M-H]- 292.252004 167.5
[M+NH4]+ 311.293103 194.2
[M+K]+ 332.222438 162.9
[M+H-H2O]+ 276.256540 168.4
[M+HCOO]- 338.257481 178.1
[M+CH3COO]- 352.273131 212.1
[M+Na-2H]- 314.233946 183.9
[M]+ 293.25873142 171.8
[M]- 293.25982858 171.8
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.