CID 4176412

5,5-dimethyl-2-thioxo-4-oxazolidinone

Structural Information

Molecular Formula
C5H7NO2S
SMILES
CC1(C(=O)NC(=S)O1)C
InChI
InChI=1S/C5H7NO2S/c1-5(2)3(7)6-4(9)8-5/h1-2H3,(H,6,7,9)
InChIKey
FEFRAGFFEMKLJV-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

145.01974 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.02702 124.5
[M+Na]+ 168.00896 134.6
[M-H]- 144.01246 126.9
[M+NH4]+ 163.05356 147.4
[M+K]+ 183.98290 133.5
[M+H-H2O]+ 128.01700 121.1
[M+HCOO]- 190.01794 140.2
[M+CH3COO]- 204.03359 168.0
[M+Na-2H]- 165.99441 127.8
[M]+ 145.01919 125.0
[M]- 145.02029 125.0
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