CID 95528

2-methylthiomorpholin-3-one

Structural Information

Molecular Formula
C5H9NOS
SMILES
CC1C(=O)NCCS1
InChI
InChI=1S/C5H9NOS/c1-4-5(7)6-2-3-8-4/h4H,2-3H2,1H3,(H,6,7)
InChIKey
JFQNETYDIXLTTR-UHFFFAOYSA-N
Compound name
2-methylthiomorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

131.04048 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.04776 125.4
[M+Na]+ 154.02970 135.9
[M+NH4]+ 149.07430 134.4
[M+K]+ 170.00364 128.5
[M-H]- 130.03320 126.5
[M+Na-2H]- 152.01515 129.6
[M]+ 131.03993 127.4
[M]- 131.04103 127.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe