CID 13651613

2o3b

Structural Information

Molecular Formula

C₁₇H₂₀O

SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C17H20O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h6-13H,3-5H2,1-2H3

InChIKey

HKHAZWWPCQQAJK-UHFFFAOYSA-N

Compound name

1-ethoxy-4-(4-propylphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 240.15141 Da
Monoisotopic Mass: 5.2
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]+	241.15869	156.3
[M+Na]+	263.14063	163.6
[M-H]-	239.14413	162.9
[M+NH4]+	258.18523	174.1
[M+K]+	279.11457	159.5
[M+H-H2O]+	223.14867	148.8
[M+HCOO]-	285.14961	180.0
[M+CH3COO]-	299.16526	195.4
[M+Na-2H]-	261.12608	161.4
[M]+	240.15086	158.7
[M]-	240.15196	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe