CID 22027196

Schembl341053

Structural Information

Molecular Formula

C₁₉H₂₄O₂

SMILES

CCCCCCC(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C19H24O2/c1-2-3-4-5-6-19(15-7-11-17(20)12-8-15)16-9-13-18(21)14-10-16/h7-14,19-21H,2-6H2,1H3

InChIKey

CZCLTCVIZZPPBW-UHFFFAOYSA-N

Compound name

4-[1-(4-hydroxyphenyl)heptyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 898
Patents: 284.17764 Da
Monoisotopic Mass: 6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.18492	170.0
[M+Na]+	307.16686	175.0
[M-H]-	283.17036	173.4
[M+NH4]+	302.21146	184.3
[M+K]+	323.14080	169.8
[M+H-H2O]+	267.17490	162.4
[M+HCOO]-	329.17584	189.1
[M+CH3COO]-	343.19149	199.1
[M+Na-2H]-	305.15231	171.7
[M]+	284.17709	170.1
[M]-	284.17819	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe