CID 11954121

Chebi:79724

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5355
Patents

284.17764 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18492 169.8
[M+Na]+ 307.16686 175.6
[M-H]- 283.17036 173.5
[M+NH4]+ 302.21146 184.4
[M+K]+ 323.14080 170.4
[M+H-H2O]+ 267.17490 162.8
[M+HCOO]- 329.17584 188.3
[M+CH3COO]- 343.19149 198.7
[M+Na-2H]- 305.15231 173.6
[M]+ 284.17709 170.1
[M]- 284.17819 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