CID 32976

Benzyldimethyl(4-(2-furyl)-2-butyl)ammonium iodide

Structural Information

Molecular Formula
C17H24NO
SMILES
CC(CCC1=CC=CO1)[N+](C)(C)CC2=CC=CC=C2
InChI
InChI=1S/C17H24NO/c1-15(11-12-17-10-7-13-19-17)18(2,3)14-16-8-5-4-6-9-16/h4-10,13,15H,11-12,14H2,1-3H3/q+1
InChIKey
LORLGVQJJIPWKI-UHFFFAOYSA-N
Compound name
benzyl-[4-(furan-2-yl)butan-2-yl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1858 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19308 163.0
[M+Na]+ 281.17502 167.9
[M-H]- 257.17852 171.3
[M+NH4]+ 276.21962 180.4
[M+K]+ 297.14896 160.9
[M+H-H2O]+ 241.18306 158.7
[M+HCOO]- 303.18400 185.9
[M+CH3COO]- 317.19965 195.1
[M+Na-2H]- 279.16047 170.5
[M]+ 258.18525 164.3
[M]- 258.18635 164.3
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.