CID 24135

7507-89-3

Structural Information

Molecular Formula
C9H10O4
SMILES
CC(=O)C1=C(C=C(C=C1O)OC)O
InChI
InChI=1S/C9H10O4/c1-5(10)9-7(11)3-6(13-2)4-8(9)12/h3-4,11-12H,1-2H3
InChIKey
GKSGTWUNURZTKD-UHFFFAOYSA-N
Compound name
1-(2,6-dihydroxy-4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

94
Patents

182.0579 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 136.1
[M+Na]+ 205.04712 147.9
[M+NH4]+ 200.09172 142.9
[M+K]+ 221.02106 143.9
[M-H]- 181.05062 136.1
[M+Na-2H]- 203.03257 140.7
[M]+ 182.05735 137.5
[M]- 182.05845 137.5
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