CID 15129075

136495-86-8

Structural Information

Molecular Formula
C7H11NO3S
SMILES
C1CC[C@@H]2[C@H](C1)C(=O)NS2(=O)=O
InChI
InChI=1S/C7H11NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h5-6H,1-4H2,(H,8,9)/t5-,6+/m0/s1
InChIKey
SCIFFMCNMMSWKV-NTSWFWBYSA-N
Compound name
(3aR,7aR)-1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.04596 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.05324 139.4
[M+Na]+ 212.03518 148.1
[M+NH4]+ 207.07978 148.7
[M+K]+ 228.00912 141.4
[M-H]- 188.03868 138.8
[M+Na-2H]- 210.02063 142.2
[M]+ 189.04541 140.7
[M]- 189.04651 140.7
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.