CID 13371162

1-methyl-4-piperidyl cyclopentyl(ethynyl)glycolate

Structural Information

Molecular Formula
C15H23NO3
SMILES
CN1CCC(CC1)OC(=O)C(C#C)(C2CCCC2)O
InChI
InChI=1S/C15H23NO3/c1-3-15(18,12-6-4-5-7-12)14(17)19-13-8-10-16(2)11-9-13/h1,12-13,18H,4-11H2,2H3
InChIKey
VCWICUKEPYKJAH-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxybut-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 163.8
[M+Na]+ 288.15702 170.8
[M+NH4]+ 283.20162 166.6
[M+K]+ 304.13096 165.2
[M-H]- 264.16052 155.8
[M+Na-2H]- 286.14247 163.0
[M]+ 265.16725 161.3
[M]- 265.16835 161.3
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.