CID 50392

69352-81-4

Structural Information

Molecular Formula
C16H23NO2
SMILES
C1CCN(CC1)CCOC(=O)CC2C=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c18-16(14-15-8-4-1-2-5-9-15)19-13-12-17-10-6-3-7-11-17/h1-2,4-5,8-9,15H,3,6-7,10-14H2
InChIKey
BUTVXCKZUIGFFF-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 159.6
[M+Na]+ 284.16210 160.8
[M-H]- 260.16560 164.1
[M+NH4]+ 279.20670 173.1
[M+K]+ 300.13604 162.4
[M+H-H2O]+ 244.17014 151.6
[M+HCOO]- 306.17108 176.8
[M+CH3COO]- 320.18673 196.1
[M+Na-2H]- 282.14755 162.2
[M]+ 261.17233 154.1
[M]- 261.17343 154.1
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.