CID 293713

4-aminotetrahydrothiophene-3-ol 1,1-dioxide

Structural Information

Molecular Formula
C4H9NO3S
SMILES
C1C(C(CS1(=O)=O)O)N
InChI
InChI=1S/C4H9NO3S/c5-3-1-9(7,8)2-4(3)6/h3-4,6H,1-2,5H2
InChIKey
REXPOWCRPFUCHS-UHFFFAOYSA-N
Compound name
4-amino-1,1-dioxothiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

79
Patents

151.03032 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03760 125.4
[M+Na]+ 174.01954 134.6
[M-H]- 150.02304 127.9
[M+NH4]+ 169.06414 149.8
[M+K]+ 189.99348 132.5
[M+H-H2O]+ 134.02758 122.1
[M+HCOO]- 196.02852 143.7
[M+CH3COO]- 210.04417 168.9
[M+Na-2H]- 172.00499 128.0
[M]+ 151.02977 124.0
[M]- 151.03087 124.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe