CID 10279

490-78-8

Structural Information

Molecular Formula
C8H8O3
SMILES
CC(=O)C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3
InChIKey
WLDWSGZHNBANIO-UHFFFAOYSA-N
Compound name
1-(2,5-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

3502
Patents

152.04735 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.054626 127.6
[M+Na]+ 175.036568 136.5
[M-H]- 151.040074 129.4
[M+NH4]+ 170.081173 147.8
[M+K]+ 191.010508 134.5
[M+H-H2O]+ 135.044610 123.0
[M+HCOO]- 197.045551 149.4
[M+CH3COO]- 211.061201 171.4
[M+Na-2H]- 173.022016 132.8
[M]+ 152.04680142 127.2
[M]- 152.04789858 127.2
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