CID 3380372

2346-24-9

Structural Information

Molecular Formula
C3H3NO2S
SMILES
C1C(=O)NC(=S)O1
InChI
InChI=1S/C3H3NO2S/c5-2-1-6-3(7)4-2/h1H2,(H,4,5,7)
InChIKey
GCSVNNODDIEGEX-UHFFFAOYSA-N
Compound name
2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2458
Patents

116.98845 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.995726 118.5
[M+Na]+ 139.977668 127.9
[M-H]- 115.981174 120.7
[M+NH4]+ 135.022273 140.2
[M+K]+ 155.951608 127.0
[M+H-H2O]+ 99.985710 114.0
[M+HCOO]- 161.986651 134.9
[M+CH3COO]- 176.002301 161.2
[M+Na-2H]- 137.963116 121.7
[M]+ 116.98790142 117.4
[M]- 116.98899858 117.4
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