CID 13633788

35888-91-6

Structural Information

Molecular Formula
C12H14O2
SMILES
CCC(=O)C1=CC=CC(=C1O)CC=C
InChI
InChI=1S/C12H14O2/c1-3-6-9-7-5-8-10(12(9)14)11(13)4-2/h3,5,7-8,14H,1,4,6H2,2H3
InChIKey
CILNDTIZKQCRPI-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-3-prop-2-enylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

190.09938 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 140.8
[M+Na]+ 213.088598 148.7
[M-H]- 189.092104 143.4
[M+NH4]+ 208.133203 160.2
[M+K]+ 229.062538 145.6
[M+H-H2O]+ 173.096640 135.5
[M+HCOO]- 235.097581 162.8
[M+CH3COO]- 249.113231 183.2
[M+Na-2H]- 211.074046 144.4
[M]+ 190.09883142 141.6
[M]- 190.09992858 141.6
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.