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

283
Patents

163.04893 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05621 129.7
[M+Na]+ 186.03815 136.9
[M-H]- 162.04165 130.2
[M+NH4]+ 181.08275 149.4
[M+K]+ 202.01209 133.1
[M+H-H2O]+ 146.04619 124.6
[M+HCOO]- 208.04713 137.0
[M+CH3COO]- 222.06278 174.6
[M+Na-2H]- 184.02360 128.9
[M]+ 163.04838 126.7
[M]- 163.04948 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