CID 116101

Tl-1418

Structural Information

Molecular Formula
C20H31N2O2
SMILES
C[N+](C)(C)C1=C(C=CC(=C1)C2CCCC2)OC(=O)N3CCCCC3
InChI
InChI=1S/C20H31N2O2/c1-22(2,3)18-15-17(16-9-5-6-10-16)11-12-19(18)24-20(23)21-13-7-4-8-14-21/h11-12,15-16H,4-10,13-14H2,1-3H3/q+1
InChIKey
RFEKZKHGRXOFIN-UHFFFAOYSA-N
Compound name
[5-cyclopentyl-2-(piperidine-1-carbonyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.23856 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.24584 180.0
[M+Na]+ 354.22778 191.4
[M+NH4]+ 349.27238 188.9
[M+K]+ 370.20172 187.4
[M-H]- 330.23128 186.7
[M+Na-2H]- 352.21323 187.3
[M]+ 331.23801 183.7
[M]- 331.23911 183.7
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.