CID 3036745

68831-68-5

Structural Information

Molecular Formula
C6H9NOS
SMILES
C=CCC1CNC(=S)O1
InChI
InChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h2,5H,1,3-4H2,(H,7,9)
InChIKey
QEKDLBSHZCJKRO-UHFFFAOYSA-N
Compound name
5-prop-2-enyl-1,3-oxazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

143.04048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04776 128.7
[M+Na]+ 166.02970 136.9
[M-H]- 142.03320 130.4
[M+NH4]+ 161.07430 149.5
[M+K]+ 182.00364 134.9
[M+H-H2O]+ 126.03774 123.8
[M+HCOO]- 188.03868 143.9
[M+CH3COO]- 202.05433 168.3
[M+Na-2H]- 164.01515 130.2
[M]+ 143.03993 127.3
[M]- 143.04103 127.3
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