CID 84652174

2243514-92-1

Structural Information

Molecular Formula
C5H11NO3S
SMILES
C1C(CS1(=O)=O)(CCO)N
InChI
InChI=1S/C5H11NO3S/c6-5(1-2-7)3-10(8,9)4-5/h7H,1-4,6H2
InChIKey
QQZYMXZAWMIWPB-UHFFFAOYSA-N
Compound name
2-(3-amino-1,1-dioxothietan-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.04596 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.053236 129.4
[M+Na]+ 188.035178 135.4
[M-H]- 164.038684 131.2
[M+NH4]+ 183.079783 146.0
[M+K]+ 204.009118 136.5
[M+H-H2O]+ 148.043220 120.9
[M+HCOO]- 210.044161 145.6
[M+CH3COO]- 224.059811 176.1
[M+Na-2H]- 186.020626 134.0
[M]+ 165.04541142 138.1
[M]- 165.04650858 138.1
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

No patent data available for this compound.