CID 81958951

1566883-08-6

Structural Information

Molecular Formula
C13H14O2
SMILES
C=CCCC(=O)C1CC2=CC=CC=C2O1
InChI
InChI=1S/C13H14O2/c1-2-3-7-11(14)13-9-10-6-4-5-8-12(10)15-13/h2,4-6,8,13H,1,3,7,9H2
InChIKey
ZQTCIKRPDUALDS-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1-benzofuran-2-yl)pent-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.106656 144.8
[M+Na]+ 225.088598 152.2
[M-H]- 201.092104 149.6
[M+NH4]+ 220.133203 165.5
[M+K]+ 241.062538 150.0
[M+H-H2O]+ 185.096640 139.4
[M+HCOO]- 247.097581 166.2
[M+CH3COO]- 261.113231 185.4
[M+Na-2H]- 223.074046 149.6
[M]+ 202.09883142 146.1
[M]- 202.09992858 146.1
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

No patent data available for this compound.