CID 3025462

103182-83-8

Structural Information

Molecular Formula
C12H15NO3S
SMILES
C1C(NC(S1)CCC2=CC=CC=C2O)C(=O)O
InChI
InChI=1S/C12H15NO3S/c14-10-4-2-1-3-8(10)5-6-11-13-9(7-17-11)12(15)16/h1-4,9,11,13-14H,5-7H2,(H,15,16)
InChIKey
ARLUWJUHWBBIOJ-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

253.07727 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08455 156.4
[M+Na]+ 276.06649 162.3
[M-H]- 252.06999 157.7
[M+NH4]+ 271.11109 172.2
[M+K]+ 292.04043 157.5
[M+H-H2O]+ 236.07453 150.3
[M+HCOO]- 298.07547 168.3
[M+CH3COO]- 312.09112 184.0
[M+Na-2H]- 274.05194 154.5
[M]+ 253.07672 153.9
[M]- 253.07782 153.9
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

patents stripe