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]+ 208.06381 142.5
[M+Na]+ 230.04575 148.8
[M-H]- 206.04925 144.0
[M+NH4]+ 225.09035 163.9
[M+K]+ 246.01969 147.1
[M+H-H2O]+ 190.05379 138.4
[M+HCOO]- 252.05473 158.1
[M+CH3COO]- 266.07038 179.9
[M+Na-2H]- 228.03120 142.1
[M]+ 207.05598 141.2
[M]- 207.05708 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