CID 97187

73908-90-4

Structural Information

Molecular Formula
C6H12N2O2S
SMILES
CC1=NS(=O)(=O)NC(C1)(C)C
InChI
InChI=1S/C6H12N2O2S/c1-5-4-6(2,3)8-11(9,10)7-5/h8H,4H2,1-3H3
InChIKey
PYKLLNFDKBCHKB-UHFFFAOYSA-N
Compound name
3,3,5-trimethyl-2,4-dihydro-1,2,6-thiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

176.06195 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.069226 130.4
[M+Na]+ 199.051168 140.7
[M-H]- 175.054674 130.8
[M+NH4]+ 194.095773 152.2
[M+K]+ 215.025108 138.5
[M+H-H2O]+ 159.059210 126.2
[M+HCOO]- 221.060151 144.5
[M+CH3COO]- 235.075801 173.7
[M+Na-2H]- 197.036616 136.1
[M]+ 176.06140142 130.9
[M]- 176.06249858 130.9
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

No patent data available for this compound.