CID 71756818

6-cyclopropylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
C1CC1C2=C(N3C=CSC3=N2)C(=O)O
InChI
InChI=1S/C9H8N2O2S/c12-8(13)7-6(5-1-2-5)10-9-11(7)3-4-14-9/h3-5H,1-2H2,(H,12,13)
InChIKey
MYNNRYMYQAYKIY-UHFFFAOYSA-N
Compound name
6-cyclopropylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.03065 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03793 142.1
[M+Na]+ 231.01987 155.3
[M-H]- 207.02337 148.0
[M+NH4]+ 226.06447 158.4
[M+K]+ 246.99381 150.5
[M+H-H2O]+ 191.02791 136.7
[M+HCOO]- 253.02885 160.3
[M+CH3COO]- 267.04450 155.7
[M+Na-2H]- 229.00532 143.4
[M]+ 208.03010 148.8
[M]- 208.03120 148.8
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

No patent data available for this compound.