CID 3065887

1-pyrrolidineethanol, alpha-(((3-methyl-2-thienyl)oxy)methyl)-2,2,5,5-tetramethyl-, hydrochloride

Structural Information

Molecular Formula
C16H27NO2S
SMILES
CC1=C(SC=C1)OCC(CN2C(CCC2(C)C)(C)C)O
InChI
InChI=1S/C16H27NO2S/c1-12-6-9-20-14(12)19-11-13(18)10-17-15(2,3)7-8-16(17,4)5/h6,9,13,18H,7-8,10-11H2,1-5H3
InChIKey
DAJBFULPUQAYSD-UHFFFAOYSA-N
Compound name
1-(3-methylthiophen-2-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

297.17624 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18352 170.4
[M+Na]+ 320.16546 178.5
[M+NH4]+ 315.21006 180.6
[M+K]+ 336.13940 171.2
[M-H]- 296.16896 171.7
[M+Na-2H]- 318.15091 175.8
[M]+ 297.17569 172.5
[M]- 297.17679 172.5
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.