CID 1483713

2-(4-pyridyl)-4-methylthiazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)O
InChI
InChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,13,14)
InChIKey
WAIPVXWDQQHMQG-UHFFFAOYSA-N
Compound name
4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

220.03065 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03793 145.1
[M+Na]+ 243.01987 155.3
[M-H]- 219.02337 149.2
[M+NH4]+ 238.06447 162.8
[M+K]+ 258.99381 151.6
[M+H-H2O]+ 203.02791 138.3
[M+HCOO]- 265.02885 162.2
[M+CH3COO]- 279.04450 182.8
[M+Na-2H]- 241.00532 146.5
[M]+ 220.03010 147.5
[M]- 220.03120 147.5
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