CID 3053211

1-(4-(methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride

Structural Information

Molecular Formula
C15H21NOS
SMILES
CC(CN1CCCC1)C(=O)C2=CC=C(C=C2)SC
InChI
InChI=1S/C15H21NOS/c1-12(11-16-9-3-4-10-16)15(17)13-5-7-14(18-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3
InChIKey
YROWNLVZCSKYQJ-UHFFFAOYSA-N
Compound name
2-methyl-1-(4-methylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1344 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14168 162.5
[M+Na]+ 286.12362 172.8
[M+NH4]+ 281.16822 171.0
[M+K]+ 302.09756 166.0
[M-H]- 262.12712 165.5
[M+Na-2H]- 284.10907 167.6
[M]+ 263.13385 165.2
[M]- 263.13495 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.