CID 2760618

89937-52-0

Structural Information

Molecular Formula
C6H14N2O2S
SMILES
C1CS(=O)(=O)CCN1CCN
InChI
InChI=1S/C6H14N2O2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-7H2
InChIKey
NICIHZYGEQHDPN-UHFFFAOYSA-N
Compound name
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

509
Patents

178.0776 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.084876 134.4
[M+Na]+ 201.066818 141.3
[M-H]- 177.070324 135.8
[M+NH4]+ 196.111423 155.0
[M+K]+ 217.040758 139.3
[M+H-H2O]+ 161.074860 129.0
[M+HCOO]- 223.075801 150.1
[M+CH3COO]- 237.091451 177.1
[M+Na-2H]- 199.052266 138.0
[M]+ 178.07705142 132.1
[M]- 178.07814858 132.1
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