CID 442812

(-)-nissolin

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=C(C=CC2=C1O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O)O
InChI
InChI=1S/C16H14O5/c1-19-16-12(18)5-4-9-11-7-20-13-6-8(17)2-3-10(13)14(11)21-15(9)16/h2-6,11,14,17-18H,7H2,1H3/t11-,14-/m0/s1
InChIKey
FPRVFTCYJRERLF-FZMZJTMJSA-N
Compound name
(6aR,11aR)-10-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.08414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 159.4
[M+Na]+ 309.07336 169.2
[M-H]- 285.07686 165.3
[M+NH4]+ 304.11796 176.6
[M+K]+ 325.04730 167.4
[M+H-H2O]+ 269.08140 154.1
[M+HCOO]- 331.08234 174.8
[M+CH3COO]- 345.09799 171.8
[M+Na-2H]- 307.05881 165.8
[M]+ 286.08359 162.9
[M]- 286.08469 162.9
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