CID 291675

6-hydroxy-7-methyl-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula
C9H8O3
SMILES
CC1=C(C=CC2=C1OCC2=O)O
InChI
InChI=1S/C9H8O3/c1-5-7(10)3-2-6-8(11)4-12-9(5)6/h2-3,10H,4H2,1H3
InChIKey
LXIBNARWIWVYBK-UHFFFAOYSA-N
Compound name
6-hydroxy-7-methyl-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

164.04735 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.054626 128.9
[M+Na]+ 187.036568 139.3
[M-H]- 163.040074 133.8
[M+NH4]+ 182.081173 151.1
[M+K]+ 203.010508 138.0
[M+H-H2O]+ 147.044610 124.8
[M+HCOO]- 209.045551 151.2
[M+CH3COO]- 223.061201 175.1
[M+Na-2H]- 185.022016 135.5
[M]+ 164.04680142 130.5
[M]- 164.04789858 130.5
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