CID 3063119

99842-64-5

Structural Information

Molecular Formula
C11H11NOS2
SMILES
CC1(COC(=S)NC1=S)C2=CC=CC=C2
InChI
InChI=1S/C11H11NOS2/c1-11(8-5-3-2-4-6-8)7-13-10(15)12-9(11)14/h2-6H,7H2,1H3,(H,12,14,15)
InChIKey
YCNPAZXRAMYTNS-UHFFFAOYSA-N
Compound name
5-methyl-5-phenyl-1,3-oxazinane-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.02821 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03549 148.1
[M+Na]+ 260.01743 160.6
[M+NH4]+ 255.06203 158.6
[M+K]+ 275.99137 148.5
[M-H]- 236.02093 153.0
[M+Na-2H]- 258.00288 155.3
[M]+ 237.02766 152.5
[M]- 237.02876 152.5
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.