CID 3065859

1-piperidineethanol, alpha-(((4-methoxy-3-thienyl)oxy)methyl)-2,2,6,6-tetramethyl-, hydrochloride

Structural Information

Molecular Formula
C17H29NO3S
SMILES
CC1(CCCC(N1CC(COC2=CSC=C2OC)O)(C)C)C
InChI
InChI=1S/C17H29NO3S/c1-16(2)7-6-8-17(3,4)18(16)9-13(19)10-21-15-12-22-11-14(15)20-5/h11-13,19H,6-10H2,1-5H3
InChIKey
KPHKLQCUGZEKJV-UHFFFAOYSA-N
Compound name
1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18683 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.194106 175.4
[M+Na]+ 350.176048 181.2
[M-H]- 326.179554 178.9
[M+NH4]+ 345.220653 194.0
[M+K]+ 366.149988 178.7
[M+H-H2O]+ 310.184090 170.1
[M+HCOO]- 372.185031 187.0
[M+CH3COO]- 386.200681 205.2
[M+Na-2H]- 348.161496 173.7
[M]+ 327.18628142 179.0
[M]- 327.18737858 179.0
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.