CID 18755872

4-aminotetrahydro-2h-thiopyran-4-carboxylic acid 1,1-dioxide

Structural Information

Molecular Formula
C6H11NO4S
SMILES
C1CS(=O)(=O)CCC1(C(=O)O)N
InChI
InChI=1S/C6H11NO4S/c7-6(5(8)9)1-3-12(10,11)4-2-6/h1-4,7H2,(H,8,9)
InChIKey
FANFYQGRZWKLBT-UHFFFAOYSA-N
Compound name
4-amino-1,1-dioxothiane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

122
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

literature stripe

Patent stripe

patents stripe