CID 58610118

521964-61-4

Structural Information

Molecular Formula
C4H7NO2S
SMILES
C1CNS(=O)(=O)C=C1
InChI
InChI=1S/C4H7NO2S/c6-8(7)4-2-1-3-5-8/h2,4-5H,1,3H2
InChIKey
AWNXEELHEWXRTR-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-thiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

133.01974 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.02702 121.4
[M+Na]+ 156.00896 129.9
[M-H]- 132.01246 122.6
[M+NH4]+ 151.05356 143.5
[M+K]+ 171.98290 127.8
[M+H-H2O]+ 116.01700 116.7
[M+HCOO]- 178.01794 137.4
[M+CH3COO]- 192.03359 162.8
[M+Na-2H]- 153.99441 127.6
[M]+ 133.01919 119.3
[M]- 133.02029 119.3
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