CID 16227383

1006482-49-0

Structural Information

Molecular Formula
C8H9NOS
SMILES
C1CS(=O)C2=CC=CC=C2N1
InChI
InChI=1S/C8H9NOS/c10-11-6-5-9-7-3-1-2-4-8(7)11/h1-4,9H,5-6H2
InChIKey
ANRVBXAHQOMRFK-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1lambda4,4-benzothiazine 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

418
Patents

167.04048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04776 129.5
[M+Na]+ 190.02970 137.9
[M-H]- 166.03320 131.3
[M+NH4]+ 185.07430 149.7
[M+K]+ 206.00364 133.9
[M+H-H2O]+ 150.03774 123.9
[M+HCOO]- 212.03868 144.0
[M+CH3COO]- 226.05433 142.3
[M+Na-2H]- 188.01515 135.4
[M]+ 167.03993 127.2
[M]- 167.04103 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe