CID 5147257

106562-27-0

Structural Information

Molecular Formula
C5H7NO3S
SMILES
C1C(=O)N(CS1)CC(=O)O
InChI
InChI=1S/C5H7NO3S/c7-4-2-10-3-6(4)1-5(8)9/h1-3H2,(H,8,9)
InChIKey
HZPPUQAAZNDUAL-UHFFFAOYSA-N
Compound name
2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

161.01466 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.021936 131.5
[M+Na]+ 184.003878 139.3
[M-H]- 160.007384 132.6
[M+NH4]+ 179.048483 152.4
[M+K]+ 199.977818 138.0
[M+H-H2O]+ 144.011920 126.3
[M+HCOO]- 206.012861 147.1
[M+CH3COO]- 220.028511 170.2
[M+Na-2H]- 181.989326 131.8
[M]+ 161.01411142 131.4
[M]- 161.01520858 131.4
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