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

12
Patents

147.0718 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.079076 128.2
[M+Na]+ 170.061018 135.5
[M-H]- 146.064524 129.0
[M+NH4]+ 165.105623 150.2
[M+K]+ 186.034958 133.4
[M+H-H2O]+ 130.069060 123.6
[M+HCOO]- 192.070001 141.7
[M+CH3COO]- 206.085651 169.1
[M+Na-2H]- 168.046466 131.8
[M]+ 147.07125142 125.1
[M]- 147.07234858 125.1
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