CID 15957488

(3s)-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-chroman-3-ol

Structural Information

Molecular Formula
C18H20O4
SMILES
CC1([C@H](CC2=C(C=CC(=C2O1)C3=CC=C(C=C3)O)OC)O)C
InChI
InChI=1S/C18H20O4/c1-18(2)16(20)10-14-15(21-3)9-8-13(17(14)22-18)11-4-6-12(19)7-5-11/h4-9,16,19-20H,10H2,1-3H3/t16-/m0/s1
InChIKey
ZJXDRTFIKVXEFF-INIZCTEOSA-N
Compound name
(3S)-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 169.3
[M+Na]+ 323.12539 178.2
[M-H]- 299.12889 175.7
[M+NH4]+ 318.16999 185.4
[M+K]+ 339.09933 175.4
[M+H-H2O]+ 283.13343 162.3
[M+HCOO]- 345.13437 186.0
[M+CH3COO]- 359.15002 201.5
[M+Na-2H]- 321.11084 174.0
[M]+ 300.13562 170.8
[M]- 300.13672 170.8
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.