CID 200340

4-piperidinocyclohexyl valerate

Structural Information

Molecular Formula
C16H29NO2
SMILES
CCCCC(=O)OC1CCC(CC1)N2CCCCC2
InChI
InChI=1S/C16H29NO2/c1-2-3-7-16(18)19-15-10-8-14(9-11-15)17-12-5-4-6-13-17/h14-15H,2-13H2,1H3
InChIKey
BELYKPLCHUFRRA-UHFFFAOYSA-N
Compound name
(4-piperidin-1-ylcyclohexyl) pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.21982 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.22710 168.7
[M+Na]+ 290.20904 169.0
[M-H]- 266.21254 171.2
[M+NH4]+ 285.25364 182.9
[M+K]+ 306.18298 166.8
[M+H-H2O]+ 250.21708 159.9
[M+HCOO]- 312.21802 181.9
[M+CH3COO]- 326.23367 197.4
[M+Na-2H]- 288.19449 167.6
[M]+ 267.21927 162.1
[M]- 267.22037 162.1
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.