CID 274092

66975-83-5

Structural Information

Molecular Formula
C5H5NO2S
SMILES
CC1=NSC(=C1)C(=O)O
InChI
InChI=1S/C5H5NO2S/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)
InChIKey
YANZAAFELHVNQZ-UHFFFAOYSA-N
Compound name
3-methyl-1,2-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

143.0041 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.01138 127.5
[M+Na]+ 165.99332 138.0
[M+NH4]+ 161.03792 135.6
[M+K]+ 181.96726 133.4
[M-H]- 141.99682 127.5
[M+Na-2H]- 163.97877 131.5
[M]+ 143.00355 129.2
[M]- 143.00465 129.2
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