CID 1491755

64096-87-3

Structural Information

Molecular Formula
C6H10O4S
SMILES
C1CS(=O)(=O)CCC1C(=O)O
InChI
InChI=1S/C6H10O4S/c7-6(8)5-1-3-11(9,10)4-2-5/h5H,1-4H2,(H,7,8)
InChIKey
RPJRJUVGGDVVDF-UHFFFAOYSA-N
Compound name
1,1-dioxothiane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

178.02998 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03726 132.3
[M+Na]+ 201.01920 139.4
[M-H]- 177.02270 134.5
[M+NH4]+ 196.06380 153.8
[M+K]+ 216.99314 138.0
[M+H-H2O]+ 161.02724 128.4
[M+HCOO]- 223.02818 147.0
[M+CH3COO]- 237.04383 171.9
[M+Na-2H]- 199.00465 135.3
[M]+ 178.02943 131.1
[M]- 178.03053 131.1
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

patents stripe