CID 121553770

1909336-66-8

Structural Information

Molecular Formula
C9H11NO3S
SMILES
C1C(OC2=CC=CC=C2S1(=O)=O)CN
InChI
InChI=1S/C9H11NO3S/c10-5-7-6-14(11,12)9-4-2-1-3-8(9)13-7/h1-4,7H,5-6,10H2
InChIKey
IQZDAXFQNLBYPP-UHFFFAOYSA-N
Compound name
(4,4-dioxo-2,3-dihydro-1,4lambda6-benzoxathiin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04596 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 141.1
[M+Na]+ 236.03518 152.9
[M+NH4]+ 231.07978 151.2
[M+K]+ 252.00912 143.6
[M-H]- 212.03868 144.8
[M+Na-2H]- 234.02063 147.3
[M]+ 213.04541 144.4
[M]- 213.04651 144.4
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.