CID 32974

Benzyldimethyl(3-(5-methyl-2-furyl)propyl)ammonium iodide

Structural Information

Molecular Formula
C17H24NO
SMILES
CC1=CC=C(O1)CCC[N+](C)(C)CC2=CC=CC=C2
InChI
InChI=1S/C17H24NO/c1-15-11-12-17(19-15)10-7-13-18(2,3)14-16-8-5-4-6-9-16/h4-6,8-9,11-12H,7,10,13-14H2,1-3H3/q+1
InChIKey
XUAGSNVOHYWHNB-UHFFFAOYSA-N
Compound name
benzyl-dimethyl-[3-(5-methylfuran-2-yl)propyl]azanium
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 162.5
[M+Na]+ 281.17502 168.5
[M-H]- 257.17852 171.1
[M+NH4]+ 276.21962 180.3
[M+K]+ 297.14896 161.1
[M+H-H2O]+ 241.18306 158.2
[M+HCOO]- 303.18400 186.4
[M+CH3COO]- 317.19965 195.5
[M+Na-2H]- 279.16047 170.5
[M]+ 258.18525 164.8
[M]- 258.18635 164.8
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.