CID 9845244

Coixinden b

Structural Information

Molecular Formula
C13H14O4
SMILES
CC(=O)C1(C=C(C2=C1C=CC(=C2)OC)OC)O
InChI
InChI=1S/C13H14O4/c1-8(14)13(15)7-12(17-3)10-6-9(16-2)4-5-11(10)13/h4-7,15H,1-3H3
InChIKey
BIUULCNWWFDCPG-UHFFFAOYSA-N
Compound name
1-(1-hydroxy-3,5-dimethoxyinden-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

234.0892 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 150.0
[M+Na]+ 257.07842 161.6
[M+NH4]+ 252.12302 159.0
[M+K]+ 273.05236 156.4
[M-H]- 233.08192 150.6
[M+Na-2H]- 255.06387 155.4
[M]+ 234.08865 151.8
[M]- 234.08975 151.8
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