CID 547350

2,4,6-triethyl-1,3,5-dithiazinane

Structural Information

Molecular Formula
C9H19NS2
SMILES
CCC1NC(SC(S1)CC)CC
InChI
InChI=1S/C9H19NS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-10H,4-6H2,1-3H3
InChIKey
AANIECMHWBXFCP-UHFFFAOYSA-N
Compound name
2,4,6-triethyl-1,3,5-dithiazinane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

70
Patents

205.09589 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10317 142.0
[M+Na]+ 228.08511 147.9
[M-H]- 204.08861 142.0
[M+NH4]+ 223.12971 160.1
[M+K]+ 244.05905 143.3
[M+H-H2O]+ 188.09315 136.3
[M+HCOO]- 250.09409 148.4
[M+CH3COO]- 264.10974 183.4
[M+Na-2H]- 226.07056 139.9
[M]+ 205.09534 140.1
[M]- 205.09644 140.1
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