CID 59316832

Pyrrolo[2,1-b]thiazole-7-carboxylic acid

Structural Information

Molecular Formula
C7H5NO2S
SMILES
C1=CN2C=CSC2=C1C(=O)O
InChI
InChI=1S/C7H5NO2S/c9-7(10)5-1-2-8-3-4-11-6(5)8/h1-4H,(H,9,10)
InChIKey
SWVBPJMJJQONPB-UHFFFAOYSA-N
Compound name
pyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

167.0041 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.01138 132.0
[M+Na]+ 189.99332 142.9
[M+NH4]+ 185.03792 140.8
[M+K]+ 205.96726 139.5
[M-H]- 165.99682 132.4
[M+Na-2H]- 187.97877 136.1
[M]+ 167.00355 133.9
[M]- 167.00465 133.9
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