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

literature stripe

Patent stripe

patents stripe