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]+ 194.048156 136.0
[M+Na]+ 216.030098 145.0
[M-H]- 192.033604 137.5
[M+NH4]+ 211.074703 157.8
[M+K]+ 232.004038 143.6
[M+H-H2O]+ 176.038140 132.1
[M+HCOO]- 238.039081 151.6
[M+CH3COO]- 252.054731 175.4
[M+Na-2H]- 214.015546 137.1
[M]+ 193.04033142 137.9
[M]- 193.04142858 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.