CID 2763489

39091-01-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
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

No literature data available for this compound.

Patent stripe

patents stripe