CID 37864

Mp 26

Structural Information

Molecular Formula
C16H23NO2
SMILES
C1CCN(CC1)CCOC(=O)C2C3C2C=CC=CC3
InChI
InChI=1S/C16H23NO2/c18-16(15-13-7-3-1-4-8-14(13)15)19-12-11-17-9-5-2-6-10-17/h1,3-4,7,13-15H,2,5-6,8-12H2
InChIKey
AUMQUASVOVTVHC-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl bicyclo[5.1.0]octa-2,4-diene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 160.4
[M+Na]+ 284.16210 170.7
[M+NH4]+ 279.20670 168.4
[M+K]+ 300.13604 166.7
[M-H]- 260.16560 169.1
[M+Na-2H]- 282.14755 167.4
[M]+ 261.17233 165.3
[M]- 261.17343 165.3
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.