CID 60718965

[2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine

Structural Information

Molecular Formula
C8H8N2OS
SMILES
C1=COC(=C1)C2=NC(=CS2)CN
InChI
InChI=1S/C8H8N2OS/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4,9H2
InChIKey
KMYUKFRLLCUUTD-UHFFFAOYSA-N
Compound name
[2-(furan-2-yl)-1,3-thiazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.03574 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 133.8
[M+Na]+ 203.02496 145.1
[M-H]- 179.02846 141.2
[M+NH4]+ 198.06956 155.4
[M+K]+ 218.99890 143.3
[M+H-H2O]+ 163.03300 128.1
[M+HCOO]- 225.03394 156.9
[M+CH3COO]- 239.04959 149.2
[M+Na-2H]- 201.01041 137.2
[M]+ 180.03519 137.6
[M]- 180.03629 137.6
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.