CID 85634817

Rmhbbojsjlxdkb-uhfffaoysa-n

Structural Information

Molecular Formula
C19H24O2
SMILES
CCC(CC(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C19H24O2/c1-3-14(16-5-9-18(20)10-6-16)13-15(4-2)17-7-11-19(21)12-8-17/h5-12,14-15,20-21H,3-4,13H2,1-2H3
InChIKey
RMHBBOJSJLXDKB-UHFFFAOYSA-N
Compound name
4-[5-(4-hydroxyphenyl)heptan-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

284.17764 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.184916 170.0
[M+Na]+ 307.166858 174.8
[M-H]- 283.170364 173.5
[M+NH4]+ 302.211463 184.3
[M+K]+ 323.140798 170.1
[M+H-H2O]+ 267.174900 162.6
[M+HCOO]- 329.175841 188.1
[M+CH3COO]- 343.191491 200.0
[M+Na-2H]- 305.152306 170.5
[M]+ 284.17709142 169.5
[M]- 284.17818858 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe