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

5
Patents

284.17764 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18492 170.0
[M+Na]+ 307.16686 174.8
[M-H]- 283.17036 173.5
[M+NH4]+ 302.21146 184.3
[M+K]+ 323.14080 170.1
[M+H-H2O]+ 267.17490 162.6
[M+HCOO]- 329.17584 188.1
[M+CH3COO]- 343.19149 200.0
[M+Na-2H]- 305.15231 170.5
[M]+ 284.17709 169.5
[M]- 284.17819 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