CID 125511837

2-cyclobutyl-1,3-oxazole-4-carbothioamide

Structural Information

Molecular Formula
C8H10N2OS
SMILES
C1CC(C1)C2=NC(=CO2)C(=S)N
InChI
InChI=1S/C8H10N2OS/c9-7(12)6-4-11-8(10-6)5-2-1-3-5/h4-5H,1-3H2,(H2,9,12)
InChIKey
RAWDHAZNVIUKCY-UHFFFAOYSA-N
Compound name
2-cyclobutyl-1,3-oxazole-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05139 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 133.3
[M+Na]+ 205.040608 138.8
[M-H]- 181.044114 138.8
[M+NH4]+ 200.085213 145.6
[M+K]+ 221.014548 140.6
[M+H-H2O]+ 165.048650 121.1
[M+HCOO]- 227.049591 149.4
[M+CH3COO]- 241.065241 183.6
[M+Na-2H]- 203.026056 134.2
[M]+ 182.05084142 141.2
[M]- 182.05193858 141.2
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.