CID 61563371

1989859-03-1

Structural Information

Molecular Formula
C6H13NO3S
SMILES
C1CS(=O)(=O)CCC1(CO)N
InChI
InChI=1S/C6H13NO3S/c7-6(5-8)1-3-11(9,10)4-2-6/h8H,1-5,7H2
InChIKey
KEVJASNWXXXOAK-UHFFFAOYSA-N
Compound name
(4-amino-1,1-dioxothian-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06161 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.068886 133.0
[M+Na]+ 202.050828 140.1
[M-H]- 178.054334 134.6
[M+NH4]+ 197.095433 156.0
[M+K]+ 218.024768 138.1
[M+H-H2O]+ 162.058870 129.6
[M+HCOO]- 224.059811 148.5
[M+CH3COO]- 238.075461 173.9
[M+Na-2H]- 200.036276 138.0
[M]+ 179.06106142 130.3
[M]- 179.06215858 130.3
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.