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]+ 207.079786 140.7
[M+Na]+ 229.061728 147.1
[M-H]- 205.065234 142.5
[M+NH4]+ 224.106333 160.2
[M+K]+ 245.035668 145.7
[M+H-H2O]+ 189.069770 135.2
[M+HCOO]- 251.070711 156.1
[M+CH3COO]- 265.086361 182.3
[M+Na-2H]- 227.047176 144.0
[M]+ 206.07196142 139.8
[M]- 206.07305858 139.8
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.