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]+ 177.06923 130.4
[M+Na]+ 199.05117 140.7
[M-H]- 175.05467 130.8
[M+NH4]+ 194.09577 152.2
[M+K]+ 215.02511 138.5
[M+H-H2O]+ 159.05921 126.2
[M+HCOO]- 221.06015 144.5
[M+CH3COO]- 235.07580 173.7
[M+Na-2H]- 197.03662 136.1
[M]+ 176.06140 130.9
[M]- 176.06250 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.