CID 380034

92956-72-4

Structural Information

Molecular Formula
C17H27NO3
SMILES
CC#CC(C1CCCCC1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C17H27NO3/c1-3-11-17(20,14-7-5-4-6-8-14)16(19)21-15-9-12-18(2)13-10-15/h14-15,20H,4-10,12-13H2,1-2H3
InChIKey
KYEFWBWWXAMWAJ-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-cyclohexyl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.206376 171.8
[M+Na]+ 316.188318 175.4
[M-H]- 292.191824 171.8
[M+NH4]+ 311.232923 182.8
[M+K]+ 332.162258 170.4
[M+H-H2O]+ 276.196360 158.4
[M+HCOO]- 338.197301 177.5
[M+CH3COO]- 352.212951 204.4
[M+Na-2H]- 314.173766 170.5
[M]+ 293.19855142 159.4
[M]- 293.19964858 159.4
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.