CID 2794795

2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H9NO2S
SMILES
CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)
InChIKey
MTVWIZYQYPRZGZ-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

47
Patents

219.0354 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.04268 146.6
[M+Na]+ 242.02462 159.2
[M+NH4]+ 237.06922 155.0
[M+K]+ 257.99856 153.1
[M-H]- 218.02812 149.3
[M+Na-2H]- 240.01007 153.4
[M]+ 219.03485 149.6
[M]- 219.03595 149.6
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