CID 146155254

2416230-50-5

Structural Information

Molecular Formula
C7H14N2O3S
SMILES
COC(=O)CN1CCS(=N)(=O)CC1
InChI
InChI=1S/C7H14N2O3S/c1-12-7(10)6-9-2-4-13(8,11)5-3-9/h8H,2-6H2,1H3
InChIKey
JGGSSWYOZAWHKX-UHFFFAOYSA-N
Compound name
methyl 2-(1-imino-1-oxo-1,4-thiazinan-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.07251 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07979 143.5
[M+Na]+ 229.06173 151.7
[M+NH4]+ 224.10633 151.5
[M+K]+ 245.03567 143.9
[M-H]- 205.06523 143.3
[M+Na-2H]- 227.04718 147.9
[M]+ 206.07196 144.8
[M]- 206.07306 144.8
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

No patent data available for this compound.