CID 3065891

109193-57-9

Structural Information

Molecular Formula
C16H27NO3S
SMILES
CC1(CCC(N1CC(COC2=CSC=C2OC)O)(C)C)C
InChI
InChI=1S/C16H27NO3S/c1-15(2)6-7-16(3,4)17(15)8-12(18)9-20-14-11-21-10-13(14)19-5/h10-12,18H,6-9H2,1-5H3
InChIKey
SNONPXHEZTZKTF-UHFFFAOYSA-N
Compound name
1-(4-methoxythiophen-3-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17117 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17845 171.6
[M+Na]+ 336.16039 179.0
[M-H]- 312.16389 176.0
[M+NH4]+ 331.20499 192.8
[M+K]+ 352.13433 176.7
[M+H-H2O]+ 296.16843 167.4
[M+HCOO]- 358.16937 185.9
[M+CH3COO]- 372.18502 202.1
[M+Na-2H]- 334.14584 169.2
[M]+ 313.17062 177.2
[M]- 313.17172 177.2
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.