CID 66981187

2059941-70-5

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

58
Patents

105.02483 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.032106 112.5
[M+Na]+ 128.014048 118.7
[M-H]- 104.017554 115.9
[M+NH4]+ 123.058653 128.8
[M+K]+ 143.987988 120.7
[M+H-H2O]+ 88.022090 101.8
[M+HCOO]- 150.023031 130.6
[M+CH3COO]- 164.038681 170.1
[M+Na-2H]- 125.999496 115.8
[M]+ 105.02428142 119.6
[M]- 105.02537858 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