CID 3053181

1-(4-methylthiophenyl)-3-dimethylamino-2-methylpropanone-1 hydrochloride

Structural Information

Molecular Formula
C13H19NOS
SMILES
CC(CN(C)C)C(=O)C1=CC=C(C=C1)SC
InChI
InChI=1S/C13H19NOS/c1-10(9-14(2)3)13(15)11-5-7-12(16-4)8-6-11/h5-8,10H,9H2,1-4H3
InChIKey
NXYVXYJPWAVQLW-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.11873 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12601 155.2
[M+Na]+ 260.10795 165.9
[M+NH4]+ 255.15255 163.7
[M+K]+ 276.08189 158.0
[M-H]- 236.11145 158.1
[M+Na-2H]- 258.09340 160.6
[M]+ 237.11818 158.0
[M]- 237.11928 158.0
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

patents stripe