CID 79580604

1528439-31-7

Structural Information

Molecular Formula
C6H11NO4S
SMILES
CC1CN(S(=O)(=O)C1)CC(=O)O
InChI
InChI=1S/C6H11NO4S/c1-5-2-7(3-6(8)9)12(10,11)4-5/h5H,2-4H2,1H3,(H,8,9)
InChIKey
RANZTEFEUJNAAU-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04088 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04816 136.0
[M+Na]+ 216.03010 145.0
[M-H]- 192.03360 137.5
[M+NH4]+ 211.07470 157.8
[M+K]+ 232.00404 143.6
[M+H-H2O]+ 176.03814 132.1
[M+HCOO]- 238.03908 151.6
[M+CH3COO]- 252.05473 175.4
[M+Na-2H]- 214.01555 137.1
[M]+ 193.04033 137.9
[M]- 193.04143 137.9
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

No patent data available for this compound.