CID 63909879

1803561-91-2

Structural Information

Molecular Formula
C6H11NO4S
SMILES
C1CC(CS(=O)(=O)C1)(C(=O)O)N
InChI
InChI=1S/C6H11NO4S/c7-6(5(8)9)2-1-3-12(10,11)4-6/h1-4,7H2,(H,8,9)
InChIKey
ONIUASQQBSRZKV-UHFFFAOYSA-N
Compound name
3-amino-1,1-dioxothiane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04088 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04816 135.4
[M+Na]+ 216.03010 142.3
[M-H]- 192.03360 136.9
[M+NH4]+ 211.07470 157.4
[M+K]+ 232.00404 140.7
[M+H-H2O]+ 176.03814 132.1
[M+HCOO]- 238.03908 150.2
[M+CH3COO]- 252.05473 176.1
[M+Na-2H]- 214.01555 139.5
[M]+ 193.04033 132.8
[M]- 193.04143 132.8
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.