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 149.1
[M+Na]+ 257.07842 159.2
[M-H]- 233.08192 153.4
[M+NH4]+ 252.12302 171.7
[M+K]+ 273.05236 157.0
[M+H-H2O]+ 217.08646 144.7
[M+HCOO]- 279.08740 171.5
[M+CH3COO]- 293.10305 189.4
[M+Na-2H]- 255.06387 153.7
[M]+ 234.08865 154.1
[M]- 234.08975 154.1
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.