CID 101177

52334-98-2

Structural Information

Molecular Formula
C11H13NOS
SMILES
CN1C(SCCC1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13NOS/c1-12-10(13)7-8-14-11(12)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKey
RYJDIQSBSLWPMY-UHFFFAOYSA-N
Compound name
3-methyl-2-phenyl-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0718 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07908 144.0
[M+Na]+ 230.06102 157.4
[M+NH4]+ 225.10562 153.7
[M+K]+ 246.03496 148.0
[M-H]- 206.06452 148.4
[M+Na-2H]- 228.04647 151.6
[M]+ 207.07125 147.7
[M]- 207.07235 147.7
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.