CID 200345

4-piperidinocyclohexyl p-nitrobenzoate

Structural Information

Molecular Formula
C18H24N2O4
SMILES
C1CCN(CC1)C2CCC(CC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H24N2O4/c21-18(14-4-6-16(7-5-14)20(22)23)24-17-10-8-15(9-11-17)19-12-2-1-3-13-19/h4-7,15,17H,1-3,8-13H2
InChIKey
RPEZKQMDZRGSNQ-UHFFFAOYSA-N
Compound name
(4-piperidin-1-ylcyclohexyl) 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1736 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 178.8
[M+Na]+ 355.16282 178.4
[M-H]- 331.16632 184.7
[M+NH4]+ 350.20742 188.7
[M+K]+ 371.13676 171.5
[M+H-H2O]+ 315.17086 173.0
[M+HCOO]- 377.17180 193.6
[M+CH3COO]- 391.18745 202.0
[M+Na-2H]- 353.14827 180.1
[M]+ 332.17305 169.4
[M]- 332.17415 169.4
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.