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]+ 183.05867 133.3
[M+Na]+ 205.04061 138.8
[M-H]- 181.04411 138.8
[M+NH4]+ 200.08521 145.6
[M+K]+ 221.01455 140.6
[M+H-H2O]+ 165.04865 121.1
[M+HCOO]- 227.04959 149.4
[M+CH3COO]- 241.06524 183.6
[M+Na-2H]- 203.02606 134.2
[M]+ 182.05084 141.2
[M]- 182.05194 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.