CID 15765124

2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=C(C=CC(=C1)C(=O)C(CO)O)O
InChI
InChI=1S/C10H12O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,11-13H,5H2,1H3
InChIKey
UTXNRISXYKZJTH-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

212.06847 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.075746 143.4
[M+Na]+ 235.057688 150.3
[M-H]- 211.061194 143.4
[M+NH4]+ 230.102293 160.1
[M+K]+ 251.031628 148.8
[M+H-H2O]+ 195.065730 138.0
[M+HCOO]- 257.066671 162.4
[M+CH3COO]- 271.082321 180.4
[M+Na-2H]- 233.043136 145.8
[M]+ 212.06792142 144.1
[M]- 212.06901858 144.1
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