CID 204087

4-(4-methylphenyl)-6h-1,3,5-oxathiazine

Structural Information

Molecular Formula
C10H11NOS
SMILES
CC1=CC=C(C=C1)C2=NCOCS2
InChI
InChI=1S/C10H11NOS/c1-8-2-4-9(5-3-8)10-11-6-12-7-13-10/h2-5H,6-7H2,1H3
InChIKey
SBVLLSPXSNWOJY-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-6H-1,3,5-oxathiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

193.05614 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06342 137.9
[M+Na]+ 216.04536 145.9
[M-H]- 192.04886 144.1
[M+NH4]+ 211.08996 155.4
[M+K]+ 232.01930 143.9
[M+H-H2O]+ 176.05340 130.9
[M+HCOO]- 238.05434 154.1
[M+CH3COO]- 252.06999 151.1
[M+Na-2H]- 214.03081 143.1
[M]+ 193.05559 137.9
[M]- 193.05669 137.9
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

patents stripe