CID 131061365

1852198-86-7

Structural Information

Molecular Formula
C10H17NOS
SMILES
CC1(CN(CCS1=O)CCC#C)C
InChI
InChI=1S/C10H17NOS/c1-4-5-6-11-7-8-13(12)10(2,3)9-11/h1H,5-9H2,2-3H3
InChIKey
HESQPYULUSSSLJ-UHFFFAOYSA-N
Compound name
4-but-3-ynyl-2,2-dimethyl-1,4-thiazinane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.10309 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11037 137.8
[M+Na]+ 222.09231 148.5
[M+NH4]+ 217.13691 144.0
[M+K]+ 238.06625 136.4
[M-H]- 198.09581 131.3
[M+Na-2H]- 220.07776 140.6
[M]+ 199.10254 137.2
[M]- 199.10364 137.2
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

No patent data available for this compound.