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]+ 200.110366 141.8
[M+Na]+ 222.092308 151.7
[M-H]- 198.095814 143.4
[M+NH4]+ 217.136913 160.6
[M+K]+ 238.066248 147.9
[M+H-H2O]+ 182.100350 130.9
[M+HCOO]- 244.101291 150.9
[M+CH3COO]- 258.116941 191.2
[M+Na-2H]- 220.077756 143.2
[M]+ 199.10254142 136.8
[M]- 199.10363858 136.8
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.