CID 297028

1-methyl-4-piperidyl sec-butyl(1-propynyl)glycolate a

Structural Information

Molecular Formula
C15H25NO3
SMILES
CCC(C)C(C#CC)(C(=O)OC1CCN(CC1)C)O
InChI
InChI=1S/C15H25NO3/c1-5-9-15(18,12(3)6-2)14(17)19-13-7-10-16(4)11-8-13/h12-13,18H,6-8,10-11H2,1-4H3
InChIKey
RCNMKPMLOOLTGJ-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-butan-2-yl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.18344 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 163.0
[M+Na]+ 290.17266 170.6
[M+NH4]+ 285.21726 165.0
[M+K]+ 306.14660 163.9
[M-H]- 266.17616 153.7
[M+Na-2H]- 288.15811 161.6
[M]+ 267.18289 160.3
[M]- 267.18399 160.3
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.