CID 11206108

4-(furan-2-yl)hepta-1,6-dien-4-ol

Structural Information

Molecular Formula
C11H14O2
SMILES
C=CCC(CC=C)(C1=CC=CO1)O
InChI
InChI=1S/C11H14O2/c1-3-7-11(12,8-4-2)10-6-5-9-13-10/h3-6,9,12H,1-2,7-8H2
InChIKey
OYTNUPDNFKZGGB-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)hepta-1,6-dien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

178.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 140.0
[M+Na]+ 201.088598 147.1
[M-H]- 177.092104 142.7
[M+NH4]+ 196.133203 159.9
[M+K]+ 217.062538 145.1
[M+H-H2O]+ 161.096640 135.4
[M+HCOO]- 223.097581 161.5
[M+CH3COO]- 237.113231 177.3
[M+Na-2H]- 199.074046 146.2
[M]+ 178.09883142 141.1
[M]- 178.09992858 141.1
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