CID 98430

49608-51-7

Structural Information

Molecular Formula
C10H9NO3S
SMILES
C1C(N=C(S1)C2=CC=CC=C2O)C(=O)O
InChI
InChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)
InChIKey
CECDPVOEINSAQG-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

159
Patents

223.03032 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.037596 146.1
[M+Na]+ 246.019538 154.5
[M-H]- 222.023044 149.6
[M+NH4]+ 241.064143 164.0
[M+K]+ 261.993478 150.8
[M+H-H2O]+ 206.027580 140.1
[M+HCOO]- 268.028521 161.7
[M+CH3COO]- 282.044171 180.0
[M+Na-2H]- 244.004986 146.4
[M]+ 223.02977142 146.2
[M]- 223.03086858 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe