CID 104434

Brn 2846701

Structural Information

Molecular Formula
C14H21NOS
SMILES
CC(C)(CN(C)C)C(=O)C1=CC=C(C=C1)SC
InChI
InChI=1S/C14H21NOS/c1-14(2,10-15(3)4)13(16)11-6-8-12(17-5)9-7-11/h6-9H,10H2,1-5H3
InChIKey
LAYDHYALSXVMLT-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2,2-dimethyl-1-(4-methylsulfanylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.13438 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14166 160.8
[M+Na]+ 274.12360 171.3
[M+NH4]+ 269.16820 169.0
[M+K]+ 290.09754 163.6
[M-H]- 250.12710 163.2
[M+Na-2H]- 272.10905 166.2
[M]+ 251.13383 163.5
[M]- 251.13493 163.5
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.