CID 3053600

Dtxsid30990400

Structural Information

Molecular Formula
C10H9NO2S
SMILES
C1C(=O)NC(=S)C(O1)C2=CC=CC=C2
InChI
InChI=1S/C10H9NO2S/c12-8-6-13-9(10(14)11-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12,14)
InChIKey
DMFBCISVQYKSPB-UHFFFAOYSA-N
Compound name
6-phenyl-5-sulfanylidenemorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0354 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.042676 141.8
[M+Na]+ 230.024618 149.5
[M-H]- 206.028124 146.5
[M+NH4]+ 225.069223 157.9
[M+K]+ 245.998558 146.1
[M+H-H2O]+ 190.032660 135.2
[M+HCOO]- 252.033601 155.5
[M+CH3COO]- 266.049251 153.9
[M+Na-2H]- 228.010066 145.0
[M]+ 207.03485142 139.0
[M]- 207.03594858 139.0
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.