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

7
Patents

161.01466 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.02194 131.5
[M+Na]+ 184.00388 139.3
[M-H]- 160.00738 132.6
[M+NH4]+ 179.04848 152.4
[M+K]+ 199.97782 138.0
[M+H-H2O]+ 144.01192 126.3
[M+HCOO]- 206.01286 147.1
[M+CH3COO]- 220.02851 170.2
[M+Na-2H]- 181.98933 131.8
[M]+ 161.01411 131.4
[M]- 161.01521 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