CID 22363313

3,3-dimethyl-1lambda4-thiomorpholin-1-one

Structural Information

Molecular Formula
C6H13NOS
SMILES
CC1(CS(=O)CCN1)C
InChI
InChI=1S/C6H13NOS/c1-6(2)5-9(8)4-3-7-6/h7H,3-5H2,1-2H3
InChIKey
LADLQUDXGGSLKJ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,4-thiazinane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

147.0718 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 130.3
[M+Na]+ 170.06102 140.8
[M+NH4]+ 165.10562 140.6
[M+K]+ 186.03496 131.5
[M-H]- 146.06452 131.4
[M+Na-2H]- 168.04647 136.0
[M]+ 147.07125 132.6
[M]- 147.07235 132.6
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