CID 3025463

103182-84-9

Structural Information

Molecular Formula
C11H13NO4S
SMILES
C1C(NC(S1)COC2=CC=CC=C2O)C(=O)O
InChI
InChI=1S/C11H13NO4S/c13-8-3-1-2-4-9(8)16-5-10-12-7(6-17-10)11(14)15/h1-4,7,10,12-13H,5-6H2,(H,14,15)
InChIKey
IYYYFSJXZPBIQS-UHFFFAOYSA-N
Compound name
2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

255.05653 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06381 154.9
[M+Na]+ 278.04575 161.0
[M-H]- 254.04925 156.3
[M+NH4]+ 273.09035 170.5
[M+K]+ 294.01969 157.0
[M+H-H2O]+ 238.05379 148.8
[M+HCOO]- 300.05473 167.3
[M+CH3COO]- 314.07038 183.2
[M+Na-2H]- 276.03120 153.6
[M]+ 255.05598 153.5
[M]- 255.05708 153.5
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