CID 529055

Dtxsid901239807

Structural Information

Molecular Formula
C8H17NS2
SMILES
CC1NC(SC(S1)C(C)C)C
InChI
InChI=1S/C8H17NS2/c1-5(2)8-10-6(3)9-7(4)11-8/h5-9H,1-4H3
InChIKey
ZNOHVVXGIQIPAU-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

191.08025 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08753 138.0
[M+Na]+ 214.06947 143.9
[M-H]- 190.07297 138.2
[M+NH4]+ 209.11407 156.5
[M+K]+ 230.04341 140.1
[M+H-H2O]+ 174.07751 132.6
[M+HCOO]- 236.07845 143.6
[M+CH3COO]- 250.09410 181.3
[M+Na-2H]- 212.05492 135.4
[M]+ 191.07970 135.2
[M]- 191.08080 135.2
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

patents stripe