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]+ 169.043016 128.2
[M+Na]+ 191.024958 135.3
[M-H]- 167.028464 133.6
[M+NH4]+ 186.069563 142.7
[M+K]+ 206.998898 135.8
[M+H-H2O]+ 151.033000 116.3
[M+HCOO]- 213.033941 146.4
[M+CH3COO]- 227.049591 180.9
[M+Na-2H]- 189.010406 129.3
[M]+ 168.03519142 136.3
[M]- 168.03628858 136.3
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.