CID 71587434

116505-60-3

Structural Information

Molecular Formula
C8H15NS2
SMILES
C[C@H]1N2CCC[C@H]2S[C@H](S1)C
InChI
InChI=1S/C8H15NS2/c1-6-9-5-3-4-8(9)11-7(2)10-6/h6-8H,3-5H2,1-2H3/t6-,7-,8+/m0/s1
InChIKey
OJEOXDLLIADRBL-BIIVOSGPSA-N
Compound name
(2S,4S,8aR)-2,4-dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

33
Patents

189.06459 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.07187 137.5
[M+Na]+ 212.05381 145.4
[M-H]- 188.05731 140.1
[M+NH4]+ 207.09841 160.0
[M+K]+ 228.02775 142.5
[M+H-H2O]+ 172.06185 133.0
[M+HCOO]- 234.06279 145.5
[M+CH3COO]- 248.07844 149.8
[M+Na-2H]- 210.03926 136.4
[M]+ 189.06404 136.2
[M]- 189.06514 136.2
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