CID 92674

57125-50-5

Structural Information

Molecular Formula

C₂₅H₃₃NO

SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C25H33NO/c1-2-3-4-5-6-7-8-9-10-11-20-27-25-18-16-24(17-19-25)23-14-12-22(21-26)13-15-23/h12-19H,2-11,20H2,1H3

InChIKey

WYSZDBDWXPAHDS-UHFFFAOYSA-N

Compound name

4-(4-dodecoxyphenyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 70
Patents: 363.25623 Da
Monoisotopic Mass: 8.8
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]+	364.26351	193.5
[M+Na]+	386.24545	206.4
[M+NH4]+	381.29005	197.8
[M+K]+	402.21939	192.5
[M-H]-	362.24895	190.7
[M+Na-2H]-	384.23090	198.0
[M]+	363.25568	193.9
[M]-	363.25678	193.9

Literature stripe

literature stripe

Patent stripe

patents stripe