CID 18534506

Schembl340850

Structural Information

Molecular Formula
C19H24O2
SMILES
CCCCCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C19H24O2/c1-3-4-5-14-19(2,15-6-10-17(20)11-7-15)16-8-12-18(21)13-9-16/h6-13,20-21H,3-5,14H2,1-2H3
InChIKey
XHQYAMKBTLODDV-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxyphenyl)heptan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2324
Patents

284.17764 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.184916 169.8
[M+Na]+ 307.166858 175.6
[M-H]- 283.170364 173.5
[M+NH4]+ 302.211463 184.4
[M+K]+ 323.140798 170.4
[M+H-H2O]+ 267.174900 162.8
[M+HCOO]- 329.175841 188.3
[M+CH3COO]- 343.191491 198.7
[M+Na-2H]- 305.152306 173.6
[M]+ 284.17709142 170.1
[M]- 284.17818858 170.1
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