CID 86232679

881652-55-7

Structural Information

Molecular Formula
C6H11NO4S
SMILES
CC1(CCS(=O)(=O)N1)CC(=O)O
InChI
InChI=1S/C6H11NO4S/c1-6(4-5(8)9)2-3-12(10,11)7-6/h7H,2-4H2,1H3,(H,8,9)
InChIKey
BIIUEWXUNUAMHE-UHFFFAOYSA-N
Compound name
2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04088 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04816 136.1
[M+Na]+ 216.03010 144.7
[M-H]- 192.03360 136.0
[M+NH4]+ 211.07470 158.9
[M+K]+ 232.00404 142.6
[M+H-H2O]+ 176.03814 133.3
[M+HCOO]- 238.03908 150.2
[M+CH3COO]- 252.05473 171.5
[M+Na-2H]- 214.01555 139.1
[M]+ 193.04033 136.2
[M]- 193.04143 136.3
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.