CID 23283855

886370-83-8

Structural Information

Molecular Formula
C9H6N2O2S
SMILES
C1=CC=NC(=C1)C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C9H6N2O2S/c12-9(13)7-5-11-8(14-7)6-3-1-2-4-10-6/h1-5H,(H,12,13)
InChIKey
VRFBRJSRHCNIAO-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

206.015 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.022276 140.8
[M+Na]+ 229.004218 150.6
[M-H]- 205.007724 144.7
[M+NH4]+ 224.048823 158.8
[M+K]+ 244.978158 147.1
[M+H-H2O]+ 189.012260 133.9
[M+HCOO]- 251.013201 158.3
[M+CH3COO]- 265.028851 154.0
[M+Na-2H]- 226.989666 143.4
[M]+ 206.01445142 142.5
[M]- 206.01554858 142.5
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