CID 46636

64046-51-1

Structural Information

Molecular Formula
C17H31NO2
SMILES
CC1CCCCN1CCCOC(=O)CC2CCCCC2
InChI
InChI=1S/C17H31NO2/c1-15-8-5-6-11-18(15)12-7-13-20-17(19)14-16-9-3-2-4-10-16/h15-16H,2-14H2,1H3
InChIKey
TUUUNXKJLMHVRJ-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 2-cyclohexylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.23547 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.242746 173.1
[M+Na]+ 304.224688 173.0
[M-H]- 280.228194 175.4
[M+NH4]+ 299.269293 186.7
[M+K]+ 320.198628 170.5
[M+H-H2O]+ 264.232730 164.1
[M+HCOO]- 326.233671 185.9
[M+CH3COO]- 340.249321 200.4
[M+Na-2H]- 302.210136 171.4
[M]+ 281.23492142 166.9
[M]- 281.23601858 166.9
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.