CID 3065889

1-pyrrolidineethanol, alpha-(((4-methyl-3-thienyl)oxy)methyl)-2,2,5,5-tetramethyl-, hydrochloride

Structural Information

Molecular Formula
C16H27NO2S
SMILES
CC1=CSC=C1OCC(CN2C(CCC2(C)C)(C)C)O
InChI
InChI=1S/C16H27NO2S/c1-12-10-20-11-14(12)19-9-13(18)8-17-15(2,3)6-7-16(17,4)5/h10-11,13,18H,6-9H2,1-5H3
InChIKey
QJHAZQCPHFIGMK-UHFFFAOYSA-N
Compound name
1-(4-methylthiophen-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

297.17624 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18352 168.3
[M+Na]+ 320.16546 176.0
[M-H]- 296.16896 172.9
[M+NH4]+ 315.21006 190.4
[M+K]+ 336.13940 173.2
[M+H-H2O]+ 280.17350 164.3
[M+HCOO]- 342.17444 182.5
[M+CH3COO]- 356.19009 200.1
[M+Na-2H]- 318.15091 165.6
[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.