CID 3061418

79128-48-6

Structural Information

Molecular Formula
C11H15NS
SMILES
CC1=CC=CC=C1C2NCCCS2
InChI
InChI=1S/C11H15NS/c1-9-5-2-3-6-10(9)11-12-7-4-8-13-11/h2-3,5-6,11-12H,4,7-8H2,1H3
InChIKey
VCZYVPIGUBNQNP-UHFFFAOYSA-N
Compound name
2-(2-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]+ 194.099786 140.7
[M+Na]+ 216.081728 146.6
[M-H]- 192.085234 144.1
[M+NH4]+ 211.126333 158.6
[M+K]+ 232.055668 142.2
[M+H-H2O]+ 176.089770 133.9
[M+HCOO]- 238.090711 154.0
[M+CH3COO]- 252.106361 152.1
[M+Na-2H]- 214.067176 143.2
[M]+ 193.09196142 135.9
[M]- 193.09305858 135.9
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.