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]+ 180.06889 133.0
[M+Na]+ 202.05083 140.1
[M-H]- 178.05433 134.6
[M+NH4]+ 197.09543 156.0
[M+K]+ 218.02477 138.1
[M+H-H2O]+ 162.05887 129.6
[M+HCOO]- 224.05981 148.5
[M+CH3COO]- 238.07546 173.9
[M+Na-2H]- 200.03628 138.0
[M]+ 179.06106 130.3
[M]- 179.06216 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.