CID 156398

76397-87-0

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O
InChI
InChI=1S/C16H16O4/c1-19-13-4-2-10(3-5-13)12-6-11-7-14(17)15(18)8-16(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3
InChIKey
HEMAEFVLALEJDS-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

272.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 159.9
[M+Na]+ 295.09408 167.7
[M-H]- 271.09758 165.9
[M+NH4]+ 290.13868 174.7
[M+K]+ 311.06802 164.9
[M+H-H2O]+ 255.10212 152.6
[M+HCOO]- 317.10306 177.4
[M+CH3COO]- 331.11871 194.7
[M+Na-2H]- 293.07953 165.2
[M]+ 272.10431 159.9
[M]- 272.10541 159.9
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