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]+ 203.10666 144.8
[M+Na]+ 225.08860 152.2
[M-H]- 201.09210 149.6
[M+NH4]+ 220.13320 165.5
[M+K]+ 241.06254 150.0
[M+H-H2O]+ 185.09664 139.4
[M+HCOO]- 247.09758 166.2
[M+CH3COO]- 261.11323 185.4
[M+Na-2H]- 223.07405 149.6
[M]+ 202.09883 146.1
[M]- 202.09993 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.