CID 297028

102584-93-0

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]+ 268.190716 164.4
[M+Na]+ 290.172658 169.7
[M-H]- 266.176164 162.9
[M+NH4]+ 285.217263 177.1
[M+K]+ 306.146598 166.9
[M+H-H2O]+ 250.180700 152.1
[M+HCOO]- 312.181641 172.5
[M+CH3COO]- 326.197291 202.6
[M+Na-2H]- 288.158106 163.5
[M]+ 267.18289142 157.1
[M]- 267.18398858 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.