CID 3023061

3-allyl-2-thioxooxazolidin-4-one

Structural Information

Molecular Formula
C6H7NO2S
SMILES
C=CCN1C(=O)COC1=S
InChI
InChI=1S/C6H7NO2S/c1-2-3-7-5(8)4-9-6(7)10/h2H,1,3-4H2
InChIKey
JXKVDYIOQSBMQG-UHFFFAOYSA-N
Compound name
3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

157.01974 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.027016 129.7
[M+Na]+ 180.008958 139.4
[M-H]- 156.012464 133.2
[M+NH4]+ 175.053563 150.7
[M+K]+ 195.982898 138.1
[M+H-H2O]+ 140.017000 124.8
[M+HCOO]- 202.017941 146.8
[M+CH3COO]- 216.033591 173.2
[M+Na-2H]- 177.994406 131.2
[M]+ 157.01919142 131.3
[M]- 157.02028858 131.3
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

No patent data available for this compound.