CID 197828

Thialdin hcl

Structural Information

Molecular Formula
C6H11NS2
SMILES
CC1N=C(SC(S1)C)C
InChI
InChI=1S/C6H11NS2/c1-4-7-5(2)9-6(3)8-4/h4,6H,1-3H3
InChIKey
NFYXFXOCHNOCMZ-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-4H-1,3,5-dithiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

161.0333 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.04058 127.5
[M+Na]+ 184.02252 136.2
[M-H]- 160.02602 129.9
[M+NH4]+ 179.06712 148.2
[M+K]+ 199.99646 133.1
[M+H-H2O]+ 144.03056 122.1
[M+HCOO]- 206.03150 137.7
[M+CH3COO]- 220.04715 176.8
[M+Na-2H]- 182.00797 128.0
[M]+ 161.03275 127.7
[M]- 161.03385 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe