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 141.8
[M+Na]+ 222.09231 151.7
[M-H]- 198.09581 143.4
[M+NH4]+ 217.13691 160.6
[M+K]+ 238.06625 147.9
[M+H-H2O]+ 182.10035 130.9
[M+HCOO]- 244.10129 150.9
[M+CH3COO]- 258.11694 191.2
[M+Na-2H]- 220.07776 143.2
[M]+ 199.10254 136.8
[M]- 199.10364 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.