CID 200342

1532-06-5

Structural Information

Molecular Formula
C18H31NO2
SMILES
C1CCC(CC1)C(=O)OC2CCC(CC2)N3CCCCC3
InChI
InChI=1S/C18H31NO2/c20-18(15-7-3-1-4-8-15)21-17-11-9-16(10-12-17)19-13-5-2-6-14-19/h15-17H,1-14H2
InChIKey
QDAFVPZEOVJIJF-UHFFFAOYSA-N
Compound name
(4-piperidin-1-ylcyclohexyl) cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.23547 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.24275 175.2
[M+Na]+ 316.22469 172.7
[M-H]- 292.22819 179.7
[M+NH4]+ 311.26929 187.4
[M+K]+ 332.19863 170.0
[M+H-H2O]+ 276.23273 165.0
[M+HCOO]- 338.23367 184.6
[M+CH3COO]- 352.24932 200.6
[M+Na-2H]- 314.21014 172.3
[M]+ 293.23492 162.2
[M]- 293.23602 162.2
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.