CID 11274993

50578-18-2

Structural Information

Molecular Formula
C4H9NOS
SMILES
C1CCS(=N)(=O)C1
InChI
InChI=1S/C4H9NOS/c5-7(6)3-1-2-4-7/h5H,1-4H2
InChIKey
NMBDLXYCYHEBDJ-UHFFFAOYSA-N
Compound name
1-iminothiolane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

119.04048 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04776 122.7
[M+Na]+ 142.02970 131.5
[M+NH4]+ 137.07430 133.2
[M+K]+ 158.00364 124.1
[M-H]- 118.03320 124.2
[M+Na-2H]- 140.01515 128.5
[M]+ 119.03993 124.7
[M]- 119.04103 124.7
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