CID 102011371

2',4'-dihydroxy-3'-methoxymethyl-5'-methylacetophenone

Structural Information

Molecular Formula
C11H14O4
SMILES
CC1=CC(=C(C(=C1O)COC)O)C(=O)C
InChI
InChI=1S/C11H14O4/c1-6-4-8(7(2)12)11(14)9(5-15-3)10(6)13/h4,13-14H,5H2,1-3H3
InChIKey
GKRZTNJKOXOWDK-UHFFFAOYSA-N
Compound name
1-[2,4-dihydroxy-3-(methoxymethyl)-5-methylphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0892 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 142.9
[M+Na]+ 233.07842 152.2
[M-H]- 209.08192 144.9
[M+NH4]+ 228.12302 161.3
[M+K]+ 249.05236 150.2
[M+H-H2O]+ 193.08646 137.9
[M+HCOO]- 255.08740 163.9
[M+CH3COO]- 269.10305 185.2
[M+Na-2H]- 231.06387 145.2
[M]+ 210.08865 145.9
[M]- 210.08975 145.9
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

No patent data available for this compound.