CID 45792023

5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxylic acid

Structural Information

Molecular Formula
C9H7NO2S2
SMILES
CC1=NC(=CS1)C2=CC(=CS2)C(=O)O
InChI
InChI=1S/C9H7NO2S2/c1-5-10-7(4-13-5)8-2-6(3-14-8)9(11)12/h2-4H,1H3,(H,11,12)
InChIKey
TWXUVNYVLSBNHK-UHFFFAOYSA-N
Compound name
5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.99182 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.99910 146.1
[M+Na]+ 247.98104 158.2
[M-H]- 223.98454 152.2
[M+NH4]+ 243.02564 167.3
[M+K]+ 263.95498 154.1
[M+H-H2O]+ 207.98908 141.4
[M+HCOO]- 269.99002 161.5
[M+CH3COO]- 284.00567 160.1
[M+Na-2H]- 245.96649 144.3
[M]+ 224.99127 151.2
[M]- 224.99237 151.2
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.