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 155.7
[M+Na]+ 247.19067 160.6
[M-H]- 223.19417 160.8
[M+NH4]+ 242.23527 175.0
[M+K]+ 263.16461 155.1
[M+H-H2O]+ 207.19871 152.6
[M+HCOO]- 269.19965 178.1
[M+CH3COO]- 283.21530 190.7
[M+Na-2H]- 245.17612 162.7
[M]+ 224.20090 158.4
[M]- 224.20200 158.4
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.