CID 93620

57280-75-8

Structural Information

Molecular Formula
C9H10O4
SMILES
COCC(=O)C1=C(C=C(C=C1)O)O
InChI
InChI=1S/C9H10O4/c1-13-5-9(12)7-3-2-6(10)4-8(7)11/h2-4,10-11H,5H2,1H3
InChIKey
LEBDSTPTUMQDQU-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

18
Patents

182.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 135.2
[M+Na]+ 205.04712 143.5
[M-H]- 181.05062 136.8
[M+NH4]+ 200.09172 154.1
[M+K]+ 221.02106 141.9
[M+H-H2O]+ 165.05516 130.1
[M+HCOO]- 227.05610 156.9
[M+CH3COO]- 241.07175 176.6
[M+Na-2H]- 203.03257 139.9
[M]+ 182.05735 136.6
[M]- 182.05845 136.6
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