CID 86266

106797-53-9

Structural Information

Molecular Formula
C12H16O4
SMILES
CC(C)(C(=O)C1=CC=C(C=C1)OCCO)O
InChI
InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3
InChIKey
GJKGAPPUXSSCFI-UHFFFAOYSA-N
Compound name
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

34
References

57432
Patents

224.10486 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 149.8
[M+Na]+ 247.09408 159.9
[M+NH4]+ 242.13868 155.9
[M+K]+ 263.06802 156.1
[M-H]- 223.09758 148.9
[M+Na-2H]- 245.07953 154.0
[M]+ 224.10431 150.8
[M]- 224.10541 150.8
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