CID 115672

3-(2-methylpiperidin-1-yl)propyl cyclohexanecarboxylate

Structural Information

Molecular Formula
C16H29NO2
SMILES
CC1CCCCN1CCCOC(=O)C2CCCCC2
InChI
InChI=1S/C16H29NO2/c1-14-8-5-6-11-17(14)12-7-13-19-16(18)15-9-3-2-4-10-15/h14-15H,2-13H2,1H3
InChIKey
LWBAYRVWDMTLKC-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.21982 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.227096 168.7
[M+Na]+ 290.209038 169.0
[M-H]- 266.212544 171.2
[M+NH4]+ 285.253643 182.9
[M+K]+ 306.182978 166.8
[M+H-H2O]+ 250.217080 159.9
[M+HCOO]- 312.218021 181.9
[M+CH3COO]- 326.233671 197.4
[M+Na-2H]- 288.194486 167.6
[M]+ 267.21927142 162.1
[M]- 267.22036858 162.1
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.