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]+ 333.180876 178.8
[M+Na]+ 355.162818 178.4
[M-H]- 331.166324 184.7
[M+NH4]+ 350.207423 188.7
[M+K]+ 371.136758 171.5
[M+H-H2O]+ 315.170860 173.0
[M+HCOO]- 377.171801 193.6
[M+CH3COO]- 391.187451 202.0
[M+Na-2H]- 353.148266 180.1
[M]+ 332.17305142 169.4
[M]- 332.17414858 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.