CID 44520

Dimethylethyl(5-(2-furyl)-1-methylpentyl)ammonium iodide

Structural Information

Molecular Formula
C14H26NO
SMILES
CC[N+](C)(C)C(C)CCCCC1=CC=CO1
InChI
InChI=1S/C14H26NO/c1-5-15(3,4)13(2)9-6-7-10-14-11-8-12-16-14/h8,11-13H,5-7,9-10H2,1-4H3/q+1
InChIKey
QAEDSOOYCAXZBQ-UHFFFAOYSA-N
Compound name
ethyl-[6-(furan-2-yl)hexan-2-yl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.20145 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.20873 153.9
[M+Na]+ 247.19067 165.7
[M+NH4]+ 242.23527 163.3
[M+K]+ 263.16461 161.9
[M-H]- 223.19417 158.9
[M+Na-2H]- 245.17612 159.7
[M]+ 224.20090 157.4
[M]- 224.20200 157.4
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.