CID 13072565

638-17-5

Structural Information

Molecular Formula
C6H13NS2
SMILES
C[C@@H]1N[C@@H](SC(S1)C)C
InChI
InChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3/t4-,5+,6?
InChIKey
FBMVFHKKLDGLJA-XEAPYIEGSA-N
Compound name
(4R,6S)-2,4,6-trimethyl-1,3,5-dithiazinane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

280
Patents

163.04893 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.056206 129.7
[M+Na]+ 186.038148 136.9
[M-H]- 162.041654 130.2
[M+NH4]+ 181.082753 149.4
[M+K]+ 202.012088 133.1
[M+H-H2O]+ 146.046190 124.6
[M+HCOO]- 208.047131 137.0
[M+CH3COO]- 222.062781 174.6
[M+Na-2H]- 184.023596 128.9
[M]+ 163.04838142 126.7
[M]- 163.04947858 126.7
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