CID 6436307

Einecs 215-336-5

Structural Information

Molecular Formula
C12H14O2
SMILES
C/C(=C/C(=O)C)/C1=CC=C(C=C1)OC
InChI
InChI=1S/C12H14O2/c1-9(8-10(2)13)11-4-6-12(14-3)7-5-11/h4-8H,1-3H3/b9-8-
InChIKey
HFUPMRKRTANEQU-HJWRWDBZSA-N
Compound name
(Z)-4-(4-methoxyphenyl)pent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 141.1
[M+Na]+ 213.088598 148.4
[M-H]- 189.092104 144.9
[M+NH4]+ 208.133203 160.9
[M+K]+ 229.062538 146.6
[M+H-H2O]+ 173.096640 135.4
[M+HCOO]- 235.097581 163.7
[M+CH3COO]- 249.113231 184.8
[M+Na-2H]- 211.074046 144.7
[M]+ 190.09883142 142.7
[M]- 190.09992858 142.7
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.