CID 212960

25433-53-8

Structural Information

Molecular Formula
C16H22NO
SMILES
C[N+](C)(C)C(CCC1=CC=CO1)C2=CC=CC=C2
InChI
InChI=1S/C16H22NO/c1-17(2,3)16(14-8-5-4-6-9-14)12-11-15-10-7-13-18-15/h4-10,13,16H,11-12H2,1-3H3/q+1
InChIKey
HWRLTJBDHTXJBD-UHFFFAOYSA-N
Compound name
[3-(furan-2-yl)-1-phenylpropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.17014 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17742 158.2
[M+Na]+ 267.15936 163.4
[M-H]- 243.16286 166.6
[M+NH4]+ 262.20396 176.1
[M+K]+ 283.13330 156.7
[M+H-H2O]+ 227.16740 154.0
[M+HCOO]- 289.16834 181.4
[M+CH3COO]- 303.18399 192.1
[M+Na-2H]- 265.14481 166.2
[M]+ 244.16959 159.1
[M]- 244.17069 159.1
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.