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]+ 179.10666 140.0
[M+Na]+ 201.08860 147.1
[M-H]- 177.09210 142.7
[M+NH4]+ 196.13320 159.9
[M+K]+ 217.06254 145.1
[M+H-H2O]+ 161.09664 135.4
[M+HCOO]- 223.09758 161.5
[M+CH3COO]- 237.11323 177.3
[M+Na-2H]- 199.07405 146.2
[M]+ 178.09883 141.1
[M]- 178.09993 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