CID 132327714

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

Structural Information

Molecular Formula
C7H8N2OS
SMILES
C1CC1C2=NC(=CO2)C(=S)N
InChI
InChI=1S/C7H8N2OS/c8-6(11)5-3-10-7(9-5)4-1-2-4/h3-4H,1-2H2,(H2,8,11)
InChIKey
CHWASAILSHOJNF-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1,3-oxazole-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.03574 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.043016 129.9
[M+Na]+ 191.024958 140.4
[M-H]- 167.028464 137.0
[M+NH4]+ 186.069563 144.9
[M+K]+ 206.998898 137.8
[M+H-H2O]+ 151.033000 123.4
[M+HCOO]- 213.033941 148.7
[M+CH3COO]- 227.049591 181.0
[M+Na-2H]- 189.010406 132.5
[M]+ 168.03519142 133.0
[M]- 168.03628858 133.0
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.