CID 167732869

3-amino-4,4-dimethoxy-1lambda6-thiane-1,1-dione

Structural Information

Molecular Formula
C7H15NO4S
SMILES
COC1(CCS(=O)(=O)CC1N)OC
InChI
InChI=1S/C7H15NO4S/c1-11-7(12-2)3-4-13(9,10)5-6(7)8/h6H,3-5,8H2,1-2H3
InChIKey
VFTBLAAWEOQCML-UHFFFAOYSA-N
Compound name
4,4-dimethoxy-1,1-dioxothian-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07217 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07945 138.2
[M+Na]+ 232.06139 146.0
[M-H]- 208.06489 141.3
[M+NH4]+ 227.10599 160.9
[M+K]+ 248.03533 145.2
[M+H-H2O]+ 192.06943 134.5
[M+HCOO]- 254.07037 155.1
[M+CH3COO]- 268.08602 182.7
[M+Na-2H]- 230.04684 142.9
[M]+ 209.07162 139.6
[M]- 209.07272 139.6
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.