CID 3048617

Nu-1406

Structural Information

Molecular Formula
C17H31NO2
SMILES
CCC(=O)OC1(CCN(CC1)C(C)C)C2CCCCC2
InChI
InChI=1S/C17H31NO2/c1-4-16(19)20-17(15-8-6-5-7-9-15)10-12-18(13-11-17)14(2)3/h14-15H,4-13H2,1-3H3
InChIKey
GDOOCQZUYABWTJ-UHFFFAOYSA-N
Compound name
(4-cyclohexyl-1-propan-2-ylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.23547 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.242746 172.6
[M+Na]+ 304.224688 173.3
[M-H]- 280.228194 175.5
[M+NH4]+ 299.269293 188.4
[M+K]+ 320.198628 171.8
[M+H-H2O]+ 264.232730 164.7
[M+HCOO]- 326.233671 184.6
[M+CH3COO]- 340.249321 200.8
[M+Na-2H]- 302.210136 171.0
[M]+ 281.23492142 166.2
[M]- 281.23601858 166.2
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.