CID 42433

57543-54-1

Structural Information

Molecular Formula
C12H12O3
SMILES
CC(=O)C1=CC2=C(C(=CC=C2)OC)OC1
InChI
InChI=1S/C12H12O3/c1-8(13)10-6-9-4-3-5-11(14-2)12(9)15-7-10/h3-6H,7H2,1-2H3
InChIKey
WIKPKPNOYJJBLE-UHFFFAOYSA-N
Compound name
1-(8-methoxy-2H-chromen-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 141.5
[M+Na]+ 227.06786 155.5
[M+NH4]+ 222.11246 150.4
[M+K]+ 243.04180 149.3
[M-H]- 203.07136 145.4
[M+Na-2H]- 225.05331 147.6
[M]+ 204.07809 144.6
[M]- 204.07919 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.