CID 22346366

2243505-92-0

Structural Information

Molecular Formula
C4H10N2O2S
SMILES
C1CNS(=O)(=O)CCN1
InChI
InChI=1S/C4H10N2O2S/c7-9(8)4-3-5-1-2-6-9/h5-6H,1-4H2
InChIKey
XDQLPJWKJFFSFI-UHFFFAOYSA-N
Compound name
1,2,5-thiadiazepane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

150.0463 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.053576 126.8
[M+Na]+ 173.035518 131.2
[M-H]- 149.039024 125.6
[M+NH4]+ 168.080123 144.2
[M+K]+ 189.009458 132.8
[M+H-H2O]+ 133.043560 120.2
[M+HCOO]- 195.044501 137.8
[M+CH3COO]- 209.060151 166.3
[M+Na-2H]- 171.020966 130.6
[M]+ 150.04575142 118.5
[M]- 150.04684858 118.5
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

patents stripe