CID 2777265

10442-03-2

Structural Information

Molecular Formula
C7H11NO2S
SMILES
C#CCN1CCS(=O)(=O)CC1
InChI
InChI=1S/C7H11NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h1H,3-7H2
InChIKey
CZBZIZOYSYHBNM-UHFFFAOYSA-N
Compound name
4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

295
Patents

173.05106 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.058336 135.0
[M+Na]+ 196.040278 145.5
[M-H]- 172.043784 136.7
[M+NH4]+ 191.084883 154.3
[M+K]+ 212.014218 142.1
[M+H-H2O]+ 156.048320 124.2
[M+HCOO]- 218.049261 145.3
[M+CH3COO]- 232.064911 183.2
[M+Na-2H]- 194.025726 138.1
[M]+ 173.05051142 129.3
[M]- 173.05160858 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe