CID 154850825

3-(2-amino-1,3-thiazol-4-yl)cyclobutan-1-one

Structural Information

Molecular Formula
C7H8N2OS
SMILES
C1C(CC1=O)C2=CSC(=N2)N
InChI
InChI=1S/C7H8N2OS/c8-7-9-6(3-11-7)4-1-5(10)2-4/h3-4H,1-2H2,(H2,8,9)
InChIKey
XEHVLWVUEBGNLV-UHFFFAOYSA-N
Compound name
3-(2-amino-1,3-thiazol-4-yl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.03574 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 129.7
[M+Na]+ 191.02496 135.4
[M+NH4]+ 186.06956 134.5
[M+K]+ 206.99890 132.4
[M-H]- 167.02846 129.7
[M+Na-2H]- 189.01041 132.7
[M]+ 168.03519 129.5
[M]- 168.03629 129.5
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.