CID 5845225

461676-40-4

Structural Information

Molecular Formula
C14H14O2
SMILES
CC(=O)/C=C/C1=CC=C(C=C1)/C=C/C(=O)C
InChI
InChI=1S/C14H14O2/c1-11(15)3-5-13-7-9-14(10-8-13)6-4-12(2)16/h3-10H,1-2H3/b5-3+,6-4+
InChIKey
HMMREUHYFATSFZ-GGWOSOGESA-N
Compound name
(E)-4-[4-[(E)-3-oxobut-1-enyl]phenyl]but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

214.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.106656 147.6
[M+Na]+ 237.088598 154.6
[M-H]- 213.092104 151.0
[M+NH4]+ 232.133203 166.3
[M+K]+ 253.062538 151.1
[M+H-H2O]+ 197.096640 141.6
[M+HCOO]- 259.097581 169.8
[M+CH3COO]- 273.113231 188.4
[M+Na-2H]- 235.074046 150.1
[M]+ 214.09883142 148.4
[M]- 214.09992858 148.4
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