CID 10039429

(-)-(e)-1-(4-hydroxyphenyl)-7-phenyl-6-hepten-3-ol

Structural Information

Molecular Formula
C19H22O2
SMILES
C1=CC=C(C=C1)/C=C/CCC(CCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C19H22O2/c20-18(13-10-17-11-14-19(21)15-12-17)9-5-4-8-16-6-2-1-3-7-16/h1-4,6-8,11-12,14-15,18,20-21H,5,9-10,13H2/b8-4+
InChIKey
PXPIJNMPDAFWSF-XBXARRHUSA-N
Compound name
4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

282.162 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16928 169.3
[M+Na]+ 305.15122 173.8
[M-H]- 281.15472 172.4
[M+NH4]+ 300.19582 183.4
[M+K]+ 321.12516 167.9
[M+H-H2O]+ 265.15926 161.6
[M+HCOO]- 327.16020 188.6
[M+CH3COO]- 341.17585 196.5
[M+Na-2H]- 303.13667 171.7
[M]+ 282.16145 168.2
[M]- 282.16255 168.2
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