CID 64146958

2470440-79-8

Structural Information

Molecular Formula
C7H13NO4S
SMILES
COC(=O)C(C1CCS(=O)(=O)C1)N
InChI
InChI=1S/C7H13NO4S/c1-12-7(9)6(8)5-2-3-13(10,11)4-5/h5-6H,2-4,8H2,1H3
InChIKey
WOMMSVNQCQJFHE-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(1,1-dioxothiolan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05653 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06381 144.5
[M+Na]+ 230.04575 150.5
[M+NH4]+ 225.09035 152.0
[M+K]+ 246.01969 146.1
[M-H]- 206.04925 143.4
[M+Na-2H]- 228.03120 146.9
[M]+ 207.05598 145.0
[M]- 207.05708 145.0
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.