CID 6445995

Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(2-furanyl)ethenyl)-

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1(COC(=N1)/C=C/C2=CC=CO2)C
InChI
InChI=1S/C11H13NO2/c1-11(2)8-14-10(12-11)6-5-9-4-3-7-13-9/h3-7H,8H2,1-2H3/b6-5+
InChIKey
ZXXGKMMADOPDSR-AATRIKPKSA-N
Compound name
2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 139.1
[M+Na]+ 214.083858 148.1
[M-H]- 190.087364 146.1
[M+NH4]+ 209.128463 160.2
[M+K]+ 230.057798 148.2
[M+H-H2O]+ 174.091900 133.9
[M+HCOO]- 236.092841 162.1
[M+CH3COO]- 250.108491 179.6
[M+Na-2H]- 212.069306 144.8
[M]+ 191.09409142 141.8
[M]- 191.09518858 141.8
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