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

44
Patents

133.01974 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.027016 121.4
[M+Na]+ 156.008958 129.9
[M-H]- 132.012464 122.6
[M+NH4]+ 151.053563 143.5
[M+K]+ 171.982898 127.8
[M+H-H2O]+ 116.017000 116.7
[M+HCOO]- 178.017941 137.4
[M+CH3COO]- 192.033591 162.8
[M+Na-2H]- 153.994406 127.6
[M]+ 133.01919142 119.3
[M]- 133.02028858 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