CID 44257174

4'-hydroxy-7-methoxy-8-methylflavan

Structural Information

Molecular Formula
C17H18O3
SMILES
CC1=C(C=CC2=C1O[C@@H](CC2)C3=CC=C(C=C3)O)OC
InChI
InChI=1S/C17H18O3/c1-11-15(19-2)9-5-13-6-10-16(20-17(11)13)12-3-7-14(18)8-4-12/h3-5,7-9,16,18H,6,10H2,1-2H3/t16-/m0/s1
InChIKey
JMZFKVHPHJWAFE-INIZCTEOSA-N
Compound name
4-[(2S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12558 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 161.2
[M+Na]+ 293.11480 169.2
[M-H]- 269.11830 168.4
[M+NH4]+ 288.15940 177.0
[M+K]+ 309.08874 166.3
[M+H-H2O]+ 253.12284 153.7
[M+HCOO]- 315.12378 179.7
[M+CH3COO]- 329.13943 173.3
[M+Na-2H]- 291.10025 166.4
[M]+ 270.12503 161.9
[M]- 270.12613 161.9
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.