CID 727834

28989-52-8

Structural Information

Molecular Formula
C7H6N2OS
SMILES
C1=COC(=C1)C2=CSC(=N2)N
InChI
InChI=1S/C7H6N2OS/c8-7-9-5(4-11-7)6-2-1-3-10-6/h1-4H,(H2,8,9)
InChIKey
CGJGALUSBPYALD-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

88
Patents

166.02008 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 129.3
[M+Na]+ 189.00930 141.0
[M-H]- 165.01280 136.9
[M+NH4]+ 184.05390 151.4
[M+K]+ 204.98324 139.4
[M+H-H2O]+ 149.01734 123.8
[M+HCOO]- 211.01828 152.7
[M+CH3COO]- 225.03393 145.1
[M+Na-2H]- 186.99475 133.1
[M]+ 166.01953 132.8
[M]- 166.02063 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe