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]+ 214.053236 139.2
[M+Na]+ 236.035178 148.4
[M-H]- 212.038684 144.2
[M+NH4]+ 231.079783 159.8
[M+K]+ 252.009118 146.4
[M+H-H2O]+ 196.043220 134.0
[M+HCOO]- 258.044161 156.1
[M+CH3COO]- 272.059811 184.0
[M+Na-2H]- 234.020626 146.3
[M]+ 213.04541142 140.3
[M]- 213.04650858 140.3
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.