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]+ 181.043016 133.8
[M+Na]+ 203.024958 145.1
[M-H]- 179.028464 141.2
[M+NH4]+ 198.069563 155.4
[M+K]+ 218.998898 143.3
[M+H-H2O]+ 163.033000 128.1
[M+HCOO]- 225.033941 156.9
[M+CH3COO]- 239.049591 149.2
[M+Na-2H]- 201.010406 137.2
[M]+ 180.03519142 137.6
[M]- 180.03628858 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.