CID 212958

Dimethylethyl(2-(2-furfuryl)butyl)ammonium iodide

Structural Information

Molecular Formula
C13H24NO
SMILES
CCC(CC1=CC=CO1)C[N+](C)(C)CC
InChI
InChI=1S/C13H24NO/c1-5-12(11-14(3,4)6-2)10-13-8-7-9-15-13/h7-9,12H,5-6,10-11H2,1-4H3/q+1
InChIKey
MMIPRTZRUIADKX-UHFFFAOYSA-N
Compound name
ethyl-[2-(furan-2-ylmethyl)butyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.18579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.19307 150.8
[M+Na]+ 233.17501 156.2
[M-H]- 209.17851 156.1
[M+NH4]+ 228.21961 170.7
[M+K]+ 249.14895 150.9
[M+H-H2O]+ 193.18305 147.9
[M+HCOO]- 255.18399 173.6
[M+CH3COO]- 269.19964 187.7
[M+Na-2H]- 231.16046 158.4
[M]+ 210.18524 153.2
[M]- 210.18634 153.2
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.