CID 103684411

1603121-77-2

Structural Information

Molecular Formula
C8H13NO2S
SMILES
CC1CS(=O)(=O)CCN1CC#C
InChI
InChI=1S/C8H13NO2S/c1-3-4-9-5-6-12(10,11)7-8(9)2/h1,8H,4-7H2,2H3
InChIKey
VAGNEMLNRVRRIP-UHFFFAOYSA-N
Compound name
3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

187.0667 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07398 137.6
[M+Na]+ 210.05592 148.5
[M-H]- 186.05942 139.5
[M+NH4]+ 205.10052 156.8
[M+K]+ 226.02986 145.0
[M+H-H2O]+ 170.06396 127.0
[M+HCOO]- 232.06490 147.7
[M+CH3COO]- 246.08055 186.9
[M+Na-2H]- 208.04137 139.9
[M]+ 187.06615 132.6
[M]- 187.06725 132.6
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