CID 64982499

2-cyclobutylthiazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1CC(C1)C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C8H9NO2S/c10-8(11)6-4-9-7(12-6)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKey
RKQVMDFILOTXAY-UHFFFAOYSA-N
Compound name
2-cyclobutyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0354 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04268 133.0
[M+Na]+ 206.02462 138.3
[M+NH4]+ 201.06922 137.2
[M+K]+ 221.99856 135.9
[M-H]- 182.02812 131.6
[M+Na-2H]- 204.01007 135.3
[M]+ 183.03485 132.3
[M]- 183.03595 132.3
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.