CID 47372

Brn 1252166

Structural Information

Molecular Formula
C13H14O4
SMILES
CC(=O)C1=CC2=C(C(=C(C=C2)OC)OC)OC1
InChI
InChI=1S/C13H14O4/c1-8(14)10-6-9-4-5-11(15-2)13(16-3)12(9)17-7-10/h4-6H,7H2,1-3H3
InChIKey
VKYNEYMUAOYXPW-UHFFFAOYSA-N
Compound name
1-(7,8-dimethoxy-2H-chromen-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 148.5
[M+Na]+ 257.07842 157.3
[M-H]- 233.08192 154.2
[M+NH4]+ 252.12302 166.6
[M+K]+ 273.05236 157.1
[M+H-H2O]+ 217.08646 142.3
[M+HCOO]- 279.08740 169.4
[M+CH3COO]- 293.10305 192.9
[M+Na-2H]- 255.06387 154.6
[M]+ 234.08865 153.5
[M]- 234.08975 153.5
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.