CID 32980

Benzyldimethyl(2-furfurylbutyl)ammonium iodide

Structural Information

Molecular Formula
C18H26NO
SMILES
CCC(CC1=CC=CO1)C[N+](C)(C)CC2=CC=CC=C2
InChI
InChI=1S/C18H26NO/c1-4-16(13-18-11-8-12-20-18)14-19(2,3)15-17-9-6-5-7-10-17/h5-12,16H,4,13-15H2,1-3H3/q+1
InChIKey
QGUJRLABJCJTLH-UHFFFAOYSA-N
Compound name
benzyl-[2-(furan-2-ylmethyl)butyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.20145 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.20873 167.9
[M+Na]+ 295.19067 172.3
[M-H]- 271.19417 176.0
[M+NH4]+ 290.23527 184.7
[M+K]+ 311.16461 165.1
[M+H-H2O]+ 255.19871 163.3
[M+HCOO]- 317.19965 190.4
[M+CH3COO]- 331.21530 198.1
[M+Na-2H]- 293.17612 174.8
[M]+ 272.20090 169.5
[M]- 272.20200 169.5
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.