CID 3048615

63916-46-1

Structural Information

Molecular Formula
C16H29NO2
SMILES
CCC(=O)OC1(CCN(CC1C)C)C2CCCCC2
InChI
InChI=1S/C16H29NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h13-14H,4-12H2,1-3H3
InChIKey
LIWGHTLQVYZNBH-UHFFFAOYSA-N
Compound name
(4-cyclohexyl-1,3-dimethylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.21982 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.22710 167.7
[M+Na]+ 290.20904 170.1
[M-H]- 266.21254 171.1
[M+NH4]+ 285.25364 184.4
[M+K]+ 306.18298 168.2
[M+H-H2O]+ 250.21708 160.0
[M+HCOO]- 312.21802 181.0
[M+CH3COO]- 326.23367 198.1
[M+Na-2H]- 288.19449 167.1
[M]+ 267.21927 161.9
[M]- 267.22037 161.9
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.