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]+ 208.063806 142.1
[M+Na]+ 230.045748 149.1
[M-H]- 206.049254 145.2
[M+NH4]+ 225.090353 164.4
[M+K]+ 246.019688 148.3
[M+H-H2O]+ 190.053790 137.9
[M+HCOO]- 252.054731 159.3
[M+CH3COO]- 266.070381 181.6
[M+Na-2H]- 228.031196 142.3
[M]+ 207.05598142 142.7
[M]- 207.05707858 142.7
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.