CID 3065857

109171-70-2

Structural Information

Molecular Formula
C17H29NO2S
SMILES
CC1=CSC=C1OCC(CN2C(CCCC2(C)C)(C)C)O
InChI
InChI=1S/C17H29NO2S/c1-13-11-21-12-15(13)20-10-14(19)9-18-16(2,3)7-6-8-17(18,4)5/h11-12,14,19H,6-10H2,1-5H3
InChIKey
QOJJUNJXGHUSMJ-UHFFFAOYSA-N
Compound name
1-(4-methylthiophen-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

311.1919 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19918 172.1
[M+Na]+ 334.18112 178.2
[M-H]- 310.18462 175.7
[M+NH4]+ 329.22572 191.5
[M+K]+ 350.15506 175.0
[M+H-H2O]+ 294.18916 166.9
[M+HCOO]- 356.19010 183.5
[M+CH3COO]- 370.20575 203.2
[M+Na-2H]- 332.16657 170.1
[M]+ 311.19135 174.2
[M]- 311.19245 174.2
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.