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]+ 184.04268 132.4
[M+Na]+ 206.02462 138.2
[M-H]- 182.02812 136.6
[M+NH4]+ 201.06922 145.8
[M+K]+ 221.99856 139.1
[M+H-H2O]+ 166.03266 120.9
[M+HCOO]- 228.03360 147.8
[M+CH3COO]- 242.04925 179.0
[M+Na-2H]- 204.01007 132.8
[M]+ 183.03485 141.1
[M]- 183.03595 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.