CID 3063992

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

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC#CC(C#CC)(C(=O)OC1CCN(CC1)C)O
InChI
InChI=1S/C14H19NO3/c1-4-8-14(17,9-5-2)13(16)18-12-6-10-15(3)11-7-12/h12,17H,6-7,10-11H2,1-3H3
InChIKey
PJWQCCFSMZZYBL-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-hydroxy-2-prop-1-ynylpent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 176.0
[M+Na]+ 272.12571 182.4
[M+NH4]+ 267.17031 175.0
[M+K]+ 288.09965 173.5
[M-H]- 248.12921 163.1
[M+Na-2H]- 270.11116 172.2
[M]+ 249.13594 171.8
[M]- 249.13704 171.8
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.