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]+ 169.04302 129.9
[M+Na]+ 191.02496 140.4
[M-H]- 167.02846 137.0
[M+NH4]+ 186.06956 144.9
[M+K]+ 206.99890 137.8
[M+H-H2O]+ 151.03300 123.4
[M+HCOO]- 213.03394 148.7
[M+CH3COO]- 227.04959 181.0
[M+Na-2H]- 189.01041 132.5
[M]+ 168.03519 133.0
[M]- 168.03629 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.