CID 529054

Fema no. 4667. 2-ethyl-

Structural Information

Molecular Formula
C7H15NS2
SMILES
CCC1SC(NC(S1)C)C
InChI
InChI=1S/C7H15NS2/c1-4-7-9-5(2)8-6(3)10-7/h5-8H,4H2,1-3H3
InChIKey
BHTMBVSWSZTUBT-UHFFFAOYSA-N
Compound name
2-ethyl-4,6-dimethyl-1,3,5-dithiazinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

177.06459 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07187 133.8
[M+Na]+ 200.05381 140.6
[M-H]- 176.05731 134.2
[M+NH4]+ 195.09841 153.0
[M+K]+ 216.02775 136.5
[M+H-H2O]+ 160.06185 128.5
[M+HCOO]- 222.06279 140.8
[M+CH3COO]- 236.07844 177.5
[M+Na-2H]- 198.03926 132.6
[M]+ 177.06404 131.2
[M]- 177.06514 131.2
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.