CID 83854819

2-amino-3-(1,1-dioxo-1lambda6-thiolan-3-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO4S
SMILES
C1CS(=O)(=O)CC1CC(C(=O)O)N
InChI
InChI=1S/C7H13NO4S/c8-6(7(9)10)3-5-1-2-13(11,12)4-5/h5-6H,1-4,8H2,(H,9,10)
InChIKey
CCDAOOSBWWGJLY-UHFFFAOYSA-N
Compound name
2-amino-3-(1,1-dioxothiolan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.05653 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063806 142.5
[M+Na]+ 230.045748 148.8
[M-H]- 206.049254 144.0
[M+NH4]+ 225.090353 163.9
[M+K]+ 246.019688 147.1
[M+H-H2O]+ 190.053790 138.4
[M+HCOO]- 252.054731 158.1
[M+CH3COO]- 266.070381 179.9
[M+Na-2H]- 228.031196 142.1
[M]+ 207.05598142 141.2
[M]- 207.05707858 141.2
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