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]+ 282.24275 173.1
[M+Na]+ 304.22469 173.0
[M-H]- 280.22819 175.4
[M+NH4]+ 299.26929 186.7
[M+K]+ 320.19863 170.5
[M+H-H2O]+ 264.23273 164.1
[M+HCOO]- 326.23367 185.9
[M+CH3COO]- 340.24932 200.4
[M+Na-2H]- 302.21014 171.4
[M]+ 281.23492 166.9
[M]- 281.23602 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.