CID 16227772

(3s)-6,6-dimethyl-5-oxothiomorpholine-3-carboxylic acid

Structural Information

Molecular Formula
C7H11NO3S
SMILES
CC1(C(=O)N[C@H](CS1)C(=O)O)C
InChI
InChI=1S/C7H11NO3S/c1-7(2)6(11)8-4(3-12-7)5(9)10/h4H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m1/s1
InChIKey
GWMBJMYQZAVSRN-SCSAIBSYSA-N
Compound name
(3S)-6,6-dimethyl-5-oxothiomorpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.04596 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.05324 140.2
[M+Na]+ 212.03518 148.9
[M+NH4]+ 207.07978 148.3
[M+K]+ 228.00912 141.7
[M-H]- 188.03868 139.1
[M+Na-2H]- 210.02063 143.5
[M]+ 189.04541 141.3
[M]- 189.04651 141.3
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

No patent data available for this compound.