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]+ 194.048156 135.4
[M+Na]+ 216.030098 142.3
[M-H]- 192.033604 136.9
[M+NH4]+ 211.074703 157.4
[M+K]+ 232.004038 140.7
[M+H-H2O]+ 176.038140 132.1
[M+HCOO]- 238.039081 150.2
[M+CH3COO]- 252.054731 176.1
[M+Na-2H]- 214.015546 139.5
[M]+ 193.04033142 132.8
[M]- 193.04142858 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.