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]+ 301.143446 169.3
[M+Na]+ 323.125388 178.2
[M-H]- 299.128894 175.7
[M+NH4]+ 318.169993 185.4
[M+K]+ 339.099328 175.4
[M+H-H2O]+ 283.133430 162.3
[M+HCOO]- 345.134371 186.0
[M+CH3COO]- 359.150021 201.5
[M+Na-2H]- 321.110836 174.0
[M]+ 300.13562142 170.8
[M]- 300.13671858 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.