CID 15549896

Guibourtinidol-7-methyl ether

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC2=C(C[C@@H]([C@H](O2)C3=CC=C(C=C3)O)O)C=C1
InChI
InChI=1S/C16H16O4/c1-19-13-7-4-11-8-14(18)16(20-15(11)9-13)10-2-5-12(17)6-3-10/h2-7,9,14,16-18H,8H2,1H3/t14-,16+/m0/s1
InChIKey
XPHACJZIOXWENC-GOEBONIOSA-N
Compound name
(2R,3S)-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10486 Da
Monoisotopic Mass

2.5
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

No patent data available for this compound.