CID 6446389

Brn 2266065

Structural Information

Molecular Formula
C14H18O3
SMILES
CC(C)(C)C(=O)/C=C/C1=CC(=C(C=C1)OC)O
InChI
InChI=1S/C14H18O3/c1-14(2,3)13(16)8-6-10-5-7-12(17-4)11(15)9-10/h5-9,15H,1-4H3/b8-6+
InChIKey
KJHUPGNFYJIXBE-SOFGYWHQSA-N
Compound name
(E)-1-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1256 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 153.1
[M+Na]+ 257.11482 160.7
[M-H]- 233.11832 155.7
[M+NH4]+ 252.15942 170.9
[M+K]+ 273.08876 158.1
[M+H-H2O]+ 217.12286 147.9
[M+HCOO]- 279.12380 173.1
[M+CH3COO]- 293.13945 190.3
[M+Na-2H]- 255.10027 156.5
[M]+ 234.12505 155.5
[M]- 234.12615 155.5
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.