CID 217452

38914-88-4

Structural Information

Molecular Formula
C15H20NO
SMILES
C[N+](C)(CCC1=CC=CO1)CC2=CC=CC=C2
InChI
InChI=1S/C15H20NO/c1-16(2,11-10-15-9-6-12-17-15)13-14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3/q+1
InChIKey
AKKJOWSNJXJJOM-UHFFFAOYSA-N
Compound name
benzyl-[2-(furan-2-yl)ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1545 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.16178 153.2
[M+Na]+ 253.14372 159.2
[M-H]- 229.14722 161.7
[M+NH4]+ 248.18832 171.8
[M+K]+ 269.11766 152.3
[M+H-H2O]+ 213.15176 149.1
[M+HCOO]- 275.15270 177.8
[M+CH3COO]- 289.16835 188.4
[M+Na-2H]- 251.12917 163.0
[M]+ 230.15395 154.4
[M]- 230.15505 154.4
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.