CID 57143815

58244-49-8

Structural Information

Molecular Formula

C₁₈H₂₂O

SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H22O/c1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19-2)14-12-17/h7-14H,3-6H2,1-2H3

InChIKey

RVBDKYNSNIEROV-UHFFFAOYSA-N

Compound name

1-methoxy-4-(4-pentylphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 254.16707 Da
Monoisotopic Mass: 5.7
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]+	255.17435	161.0
[M+Na]+	277.15629	167.8
[M-H]-	253.15979	167.4
[M+NH4]+	272.20089	178.2
[M+K]+	293.13023	163.5
[M+H-H2O]+	237.16433	153.2
[M+HCOO]-	299.16527	184.3
[M+CH3COO]-	313.18092	198.4
[M+Na-2H]-	275.14174	165.5
[M]+	254.16652	163.7
[M]-	254.16762	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe