CID 88622901

Dihydro-4,6-dimethyl-2-(1-methylpropyl)-4h-1,3,5-dithiazine

Structural Information

Molecular Formula
C9H19NS2
SMILES
CCC(C)C1SC(NC(S1)C)C
InChI
InChI=1S/C9H19NS2/c1-5-6(2)9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3
InChIKey
BLDFHTPIEUHZJY-UHFFFAOYSA-N
Compound name
2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

205.09589 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.103166 142.1
[M+Na]+ 228.085108 147.6
[M-H]- 204.088614 142.1
[M+NH4]+ 223.129713 160.1
[M+K]+ 244.059048 143.6
[M+H-H2O]+ 188.093150 136.5
[M+HCOO]- 250.094091 147.4
[M+CH3COO]- 264.109741 184.3
[M+Na-2H]- 226.070556 139.1
[M]+ 205.09534142 139.6
[M]- 205.09643858 139.6
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