CID 380034

1-methyl-4-piperidyl cyclohexyl(1-propynyl)glycolate

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]+ 294.20638 171.8
[M+Na]+ 316.18832 175.4
[M-H]- 292.19182 171.8
[M+NH4]+ 311.23292 182.8
[M+K]+ 332.16226 170.4
[M+H-H2O]+ 276.19636 158.4
[M+HCOO]- 338.19730 177.5
[M+CH3COO]- 352.21295 204.4
[M+Na-2H]- 314.17377 170.5
[M]+ 293.19855 159.4
[M]- 293.19965 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.