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 156.9
[M+Na]+ 284.16210 160.9
[M-H]- 260.16560 163.1
[M+NH4]+ 279.20670 167.4
[M+K]+ 300.13604 161.4
[M+H-H2O]+ 244.17014 149.7
[M+HCOO]- 306.17108 173.1
[M+CH3COO]- 320.18673 200.0
[M+Na-2H]- 282.14755 159.9
[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.