CID 44183

Dtxsid401337048

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC(=C)C#CC(C1=CC=CC=C1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C19H23NO3/c1-15(2)9-12-19(22,16-7-5-4-6-8-16)18(21)23-17-10-13-20(3)14-11-17/h4-8,17,22H,1,10-11,13-14H2,2-3H3
InChIKey
HNFSQQPBCHYZKE-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

313.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.175076 179.6
[M+Na]+ 336.157018 185.1
[M-H]- 312.160524 180.1
[M+NH4]+ 331.201623 189.8
[M+K]+ 352.130958 179.1
[M+H-H2O]+ 296.165060 165.7
[M+HCOO]- 358.166001 187.7
[M+CH3COO]- 372.181651 208.1
[M+Na-2H]- 334.142466 178.3
[M]+ 313.16725142 170.1
[M]- 313.16834858 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.