CID 21751983

1272667-54-5

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CC1(CS(=O)(=O)CCN1)C
InChI
InChI=1S/C6H13NO2S/c1-6(2)5-10(8,9)4-3-7-6/h7H,3-5H2,1-2H3
InChIKey
FNZVGNOUWBWMCI-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

163.0667 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07398 129.4
[M+Na]+ 186.05592 137.7
[M-H]- 162.05942 130.5
[M+NH4]+ 181.10052 152.6
[M+K]+ 202.02986 135.8
[M+H-H2O]+ 146.06396 125.7
[M+HCOO]- 208.06490 143.3
[M+CH3COO]- 222.08055 170.1
[M+Na-2H]- 184.04137 134.7
[M]+ 163.06615 127.6
[M]- 163.06725 127.6
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