CID 391072

Nsc689606

Structural Information

Molecular Formula
C16H14O3
SMILES
COC1=CC2=C(C=C1)C3COC4=CC=CC=C4C3O2
InChI
InChI=1S/C16H14O3/c1-17-10-6-7-11-13-9-18-14-5-3-2-4-12(14)16(13)19-15(11)8-10/h2-8,13,16H,9H2,1H3
InChIKey
ISNRMYJISDGWTH-UHFFFAOYSA-N
Compound name
9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 152.6
[M+Na]+ 277.08352 161.9
[M-H]- 253.08702 160.4
[M+NH4]+ 272.12812 172.1
[M+K]+ 293.05746 160.2
[M+H-H2O]+ 237.09156 146.6
[M+HCOO]- 299.09250 170.8
[M+CH3COO]- 313.10815 166.0
[M+Na-2H]- 275.06897 160.6
[M]+ 254.09375 155.7
[M]- 254.09485 155.7
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.