CID 529056

2-isobutyl-4,6-dimethyl-1,3,5-dithiazinane

Structural Information

Molecular Formula
C9H19NS2
SMILES
CC1NC(SC(S1)CC(C)C)C
InChI
InChI=1S/C9H19NS2/c1-6(2)5-9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3
InChIKey
FVPPILNIVWRBNY-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

7
Patents

205.09589 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10317 142.1
[M+Na]+ 228.08511 147.6
[M-H]- 204.08861 142.1
[M+NH4]+ 223.12971 160.1
[M+K]+ 244.05905 143.6
[M+H-H2O]+ 188.09315 136.5
[M+HCOO]- 250.09409 147.4
[M+CH3COO]- 264.10974 184.3
[M+Na-2H]- 226.07056 139.1
[M]+ 205.09534 139.6
[M]- 205.09644 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