CID 22068759

4-methoxy-4'-propyl-1,1'-biphenyl

Structural Information

Molecular Formula

C₁₆H₁₈O

SMILES

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

InChI

InChI=1S/C16H18O/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h5-12H,3-4H2,1-2H3

InChIKey

FXNICWBZRWSOMS-UHFFFAOYSA-N

Compound name

1-methoxy-4-(4-propylphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 226.13577 Da
Monoisotopic Mass: 4.9
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]+	227.14305	151.6
[M+Na]+	249.12499	159.3
[M-H]-	225.12849	158.4
[M+NH4]+	244.16959	170.0
[M+K]+	265.09893	155.5
[M+H-H2O]+	209.13303	144.3
[M+HCOO]-	271.13397	175.6
[M+CH3COO]-	285.14962	192.4
[M+Na-2H]-	247.11044	157.3
[M]+	226.13522	153.6
[M]-	226.13632	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe