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

1
Patents

267.21982 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.227096 167.7
[M+Na]+ 290.209038 170.1
[M-H]- 266.212544 171.1
[M+NH4]+ 285.253643 184.4
[M+K]+ 306.182978 168.2
[M+H-H2O]+ 250.217080 160.0
[M+HCOO]- 312.218021 181.0
[M+CH3COO]- 326.233671 198.1
[M+Na-2H]- 288.194486 167.1
[M]+ 267.21927142 161.9
[M]- 267.22036858 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.