CID 90202743

2243514-11-4

Structural Information

Molecular Formula
C7H13NO4S
SMILES
CCOC(=O)CC1(CS(=O)(=O)C1)N
InChI
InChI=1S/C7H13NO4S/c1-2-12-6(9)3-7(8)4-13(10,11)5-7/h2-5,8H2,1H3
InChIKey
BBEMWVFCEZMBSR-UHFFFAOYSA-N
Compound name
ethyl 2-(3-amino-1,1-dioxothietan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

207.05653 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06381 140.3
[M+Na]+ 230.04575 145.5
[M-H]- 206.04925 143.1
[M+NH4]+ 225.09035 155.7
[M+K]+ 246.01969 147.6
[M+H-H2O]+ 190.05379 131.2
[M+HCOO]- 252.05473 156.6
[M+CH3COO]- 266.07038 185.7
[M+Na-2H]- 228.03120 143.4
[M]+ 207.05598 151.5
[M]- 207.05708 151.5
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

patents stripe