CID 2113305

4-(5-methylfuran-2-yl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C8H8N2OS
SMILES
CC1=CC=C(O1)C2=CSC(=N2)N
InChI
InChI=1S/C8H8N2OS/c1-5-2-3-7(11-5)6-4-12-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChIKey
HIBFSFCLIHHSJZ-UHFFFAOYSA-N
Compound name
4-(5-methylfuran-2-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

180.03574 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.043016 134.0
[M+Na]+ 203.024958 146.1
[M-H]- 179.028464 141.8
[M+NH4]+ 198.069563 155.9
[M+K]+ 218.998898 144.2
[M+H-H2O]+ 163.033000 128.6
[M+HCOO]- 225.033941 157.0
[M+CH3COO]- 239.049591 149.7
[M+Na-2H]- 201.010406 136.7
[M]+ 180.03519142 138.2
[M]- 180.03628858 138.2
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

patents stripe