CID 185609

4'-hydroxy-7-methoxyflavan

Structural Information

Molecular Formula
C16H16O3
SMILES
COC1=CC2=C(CC[C@H](O2)C3=CC=C(C=C3)O)C=C1
InChI
InChI=1S/C16H16O3/c1-18-14-8-4-12-5-9-15(19-16(12)10-14)11-2-6-13(17)7-3-11/h2-4,6-8,10,15,17H,5,9H2,1H3/t15-/m0/s1
InChIKey
HQIYVJDLRVEGDX-HNNXBMFYSA-N
Compound name
4-[(2S)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

256.10995 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.117226 156.4
[M+Na]+ 279.099168 163.8
[M-H]- 255.102674 163.3
[M+NH4]+ 274.143773 172.4
[M+K]+ 295.073108 161.1
[M+H-H2O]+ 239.107210 148.9
[M+HCOO]- 301.108151 175.2
[M+CH3COO]- 315.123801 168.5
[M+Na-2H]- 277.084616 162.8
[M]+ 256.10940142 156.3
[M]- 256.11049858 156.3
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

patents stripe