CID 3586288

13016-17-6

Structural Information

Molecular Formula
C4H5NOS
SMILES
CC1=COC(=S)N1
InChI
InChI=1S/C4H5NOS/c1-3-2-6-4(7)5-3/h2H,1H3,(H,5,7)
InChIKey
QBOFLCYFXQBLPQ-UHFFFAOYSA-N
Compound name
4-methyl-3H-1,3-oxazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

115.009186 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.01646 119.6
[M+Na]+ 137.99840 131.6
[M+NH4]+ 133.04301 128.5
[M+K]+ 153.97234 126.2
[M-H]- 114.00191 121.7
[M+Na-2H]- 135.98385 124.2
[M]+ 115.00864 122.3
[M]- 115.00973 122.3
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