CID 494938

Nsc638150

Structural Information

Molecular Formula
C17H16O3
SMILES
CC1=C2C3CC4=CC=CC=C4C3OC2=CC(=C1O)OC
InChI
InChI=1S/C17H16O3/c1-9-15-12-7-10-5-3-4-6-11(10)17(12)20-13(15)8-14(19-2)16(9)18/h3-6,8,12,17-18H,7H2,1-2H3
InChIKey
CBEWDWWXMNBFCB-UHFFFAOYSA-N
Compound name
7-methoxy-9-methyl-9b,10-dihydro-4bH-indeno[1,2-b][1]benzofuran-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10995 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11723 159.5
[M+Na]+ 291.09917 170.3
[M-H]- 267.10267 166.4
[M+NH4]+ 286.14377 181.5
[M+K]+ 307.07311 166.6
[M+H-H2O]+ 251.10721 155.3
[M+HCOO]- 313.10815 179.0
[M+CH3COO]- 327.12380 173.0
[M+Na-2H]- 289.08462 162.9
[M]+ 268.10940 163.7
[M]- 268.11050 163.7
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.