CID 82734

10574-66-0

Structural Information

Molecular Formula
C5H7NO2S
SMILES
CCN1C(=O)COC1=S
InChI
InChI=1S/C5H7NO2S/c1-2-6-4(7)3-8-5(6)9/h2-3H2,1H3
InChIKey
ZILKBTSQUZJHOI-UHFFFAOYSA-N
Compound name
3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

545
Patents

145.01974 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.027016 126.1
[M+Na]+ 168.008958 135.9
[M-H]- 144.012464 129.8
[M+NH4]+ 163.053563 147.8
[M+K]+ 183.982898 135.5
[M+H-H2O]+ 128.017000 121.4
[M+HCOO]- 190.017941 143.3
[M+CH3COO]- 204.033591 171.1
[M+Na-2H]- 165.994406 128.1
[M]+ 145.01919142 128.0
[M]- 145.02028858 128.0
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