CID 64982499

1369934-00-8

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]+ 184.042676 132.4
[M+Na]+ 206.024618 138.2
[M-H]- 182.028124 136.6
[M+NH4]+ 201.069223 145.8
[M+K]+ 221.998558 139.1
[M+H-H2O]+ 166.032660 120.9
[M+HCOO]- 228.033601 147.8
[M+CH3COO]- 242.049251 179.0
[M+Na-2H]- 204.010066 132.8
[M]+ 183.03485142 141.1
[M]- 183.03594858 141.1
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.