CID 44522

63446-18-4

Structural Information

Molecular Formula
C19H28NO
SMILES
CC(CCCCC1=CC=CO1)[N+](C)(C)CC2=CC=CC=C2
InChI
InChI=1S/C19H28NO/c1-17(10-7-8-13-19-14-9-15-21-19)20(2,3)16-18-11-5-4-6-12-18/h4-6,9,11-12,14-15,17H,7-8,10,13,16H2,1-3H3/q+1
InChIKey
DYFJSTPEVSDHDS-UHFFFAOYSA-N
Compound name
benzyl-[6-(furan-2-yl)hexan-2-yl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2171 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.22438 172.8
[M+Na]+ 309.20632 176.7
[M-H]- 285.20982 180.7
[M+NH4]+ 304.25092 189.0
[M+K]+ 325.18026 169.3
[M+H-H2O]+ 269.21436 167.9
[M+HCOO]- 331.21530 194.9
[M+CH3COO]- 345.23095 201.1
[M+Na-2H]- 307.19177 179.1
[M]+ 286.21655 174.7
[M]- 286.21765 174.7
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.