CID 6474285

2-(2-(2-furyl)vinyl)-1,3-thiazoline

Structural Information

Molecular Formula
C9H9NOS
SMILES
C1CSC(=N1)/C=C\C2=CC=CO2
InChI
InChI=1S/C9H9NOS/c1-2-8(11-6-1)3-4-9-10-5-7-12-9/h1-4,6H,5,7H2/b4-3-
InChIKey
BYEBSTQTJLBFLK-ARJAWSKDSA-N
Compound name
2-[(Z)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.04048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04776 137.1
[M+Na]+ 202.02970 146.2
[M-H]- 178.03320 143.8
[M+NH4]+ 197.07430 158.8
[M+K]+ 218.00364 144.9
[M+H-H2O]+ 162.03774 131.5
[M+HCOO]- 224.03868 156.8
[M+CH3COO]- 238.05433 151.4
[M+Na-2H]- 200.01515 138.9
[M]+ 179.03993 138.9
[M]- 179.04103 138.9
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.