CID 66981187

3-amino-thietan-1-one hydrochloride

Structural Information

Molecular Formula
C3H7NOS
SMILES
C1C(CS1=O)N
InChI
InChI=1S/C3H7NOS/c4-3-1-6(5)2-3/h3H,1-2,4H2
InChIKey
OZGWIFFWPCEUEE-UHFFFAOYSA-N
Compound name
1-oxothietan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

105.02483 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.03211 113.9
[M+Na]+ 128.01405 119.2
[M+NH4]+ 123.05865 119.1
[M+K]+ 143.98799 115.0
[M-H]- 104.01755 112.9
[M+Na-2H]- 125.99950 116.1
[M]+ 105.02428 113.4
[M]- 105.02538 113.4
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

patents stripe