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]+ 294.26656 172.2
[M+Na]+ 316.24850 170.6
[M-H]- 292.25200 167.5
[M+NH4]+ 311.29310 194.2
[M+K]+ 332.22244 162.9
[M+H-H2O]+ 276.25654 168.4
[M+HCOO]- 338.25748 178.1
[M+CH3COO]- 352.27313 212.1
[M+Na-2H]- 314.23395 183.9
[M]+ 293.25873 171.8
[M]- 293.25983 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.