CID 3061414

79128-45-3

Structural Information

Molecular Formula
C11H15NS
SMILES
CC1=CC=C(C=C1)C2NCCCS2
InChI
InChI=1S/C11H15NS/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h3-6,11-12H,2,7-8H2,1H3
InChIKey
PYBMAVUTIGSTJM-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09251 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09979 141.1
[M+Na]+ 216.08173 154.1
[M+NH4]+ 211.12633 151.4
[M+K]+ 232.05567 144.4
[M-H]- 192.08523 145.8
[M+Na-2H]- 214.06718 149.0
[M]+ 193.09196 144.8
[M]- 193.09306 144.8
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.