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 164.4
[M+Na]+ 290.17266 169.7
[M-H]- 266.17616 162.9
[M+NH4]+ 285.21726 177.1
[M+K]+ 306.14660 166.9
[M+H-H2O]+ 250.18070 152.1
[M+HCOO]- 312.18164 172.5
[M+CH3COO]- 326.19729 202.6
[M+Na-2H]- 288.15811 163.5
[M]+ 267.18289 157.1
[M]- 267.18399 157.1
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.