CID 9991610

56795-51-8

Structural Information

Molecular Formula
C12H10O5
SMILES
CC(=O)OC1=C(C=C2C=CC(=O)OC2=C1)OC
InChI
InChI=1S/C12H10O5/c1-7(13)16-11-6-9-8(5-10(11)15-2)3-4-12(14)17-9/h3-6H,1-2H3
InChIKey
HYCLWDHZALFLJV-UHFFFAOYSA-N
Compound name
(6-methoxy-2-oxochromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.05283 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.060106 144.4
[M+Na]+ 257.042048 154.8
[M-H]- 233.045554 150.7
[M+NH4]+ 252.086653 162.5
[M+K]+ 273.015988 154.7
[M+H-H2O]+ 217.050090 138.1
[M+HCOO]- 279.051031 167.4
[M+CH3COO]- 293.066681 190.4
[M+Na-2H]- 255.027496 152.1
[M]+ 234.05228142 151.2
[M]- 234.05337858 151.2
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