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]+ 208.079076 143.2
[M+Na]+ 230.061018 150.5
[M-H]- 206.064524 148.4
[M+NH4]+ 225.105623 161.4
[M+K]+ 246.034958 146.9
[M+H-H2O]+ 190.069060 136.1
[M+HCOO]- 252.070001 158.4
[M+CH3COO]- 266.085651 183.8
[M+Na-2H]- 228.046466 145.4
[M]+ 207.07125142 141.3
[M]- 207.07234858 141.3
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.