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

59
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 112.5
[M+Na]+ 128.01405 118.7
[M-H]- 104.01755 115.9
[M+NH4]+ 123.05865 128.8
[M+K]+ 143.98799 120.7
[M+H-H2O]+ 88.022090 101.8
[M+HCOO]- 150.02303 130.6
[M+CH3COO]- 164.03868 170.1
[M+Na-2H]- 125.99950 115.8
[M]+ 105.02428 119.6
[M]- 105.02538 119.6
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