CID 11748139

8-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2h-chromen-7-ol

Structural Information

Molecular Formula
C17H18O4
SMILES
C1CC2=C(C(=C(C=C2)O)CCO)OC1C3=CC=C(C=C3)O
InChI
InChI=1S/C17H18O4/c18-10-9-14-15(20)7-3-12-4-8-16(21-17(12)14)11-1-5-13(19)6-2-11/h1-3,5-7,16,18-20H,4,8-10H2
InChIKey
IYBCLDNCTNLTDC-UHFFFAOYSA-N
Compound name
8-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1205 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 164.8
[M+Na]+ 309.10972 171.7
[M-H]- 285.11322 169.2
[M+NH4]+ 304.15432 178.3
[M+K]+ 325.08366 167.8
[M+H-H2O]+ 269.11776 157.6
[M+HCOO]- 331.11870 180.4
[M+CH3COO]- 345.13435 195.4
[M+Na-2H]- 307.09517 169.2
[M]+ 286.11995 163.4
[M]- 286.12105 163.4
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.