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 142.1
[M+Na]+ 230.04575 149.1
[M-H]- 206.04925 145.2
[M+NH4]+ 225.09035 164.4
[M+K]+ 246.01969 148.3
[M+H-H2O]+ 190.05379 137.9
[M+HCOO]- 252.05473 159.3
[M+CH3COO]- 266.07038 181.6
[M+Na-2H]- 228.03120 142.3
[M]+ 207.05598 142.7
[M]- 207.05708 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.