CID 101061

59454-35-2

Structural Information

Molecular Formula

C₂₃H₂₉N

SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H29N/c1-2-3-4-5-6-7-8-9-10-20-11-15-22(16-12-20)23-17-13-21(19-24)14-18-23/h11-18H,2-10H2,1H3

InChIKey

GLGZJMAYDWXROS-UHFFFAOYSA-N

Compound name

4-(4-decylphenyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 124
Patents: 319.23 Da
Monoisotopic Mass: 8.4
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]+	320.23728	181.5
[M+Na]+	342.21922	189.0
[M-H]-	318.22272	185.7
[M+NH4]+	337.26382	194.4
[M+K]+	358.19316	180.9
[M+H-H2O]+	302.22726	166.6
[M+HCOO]-	364.22820	199.3
[M+CH3COO]-	378.24385	221.4
[M+Na-2H]-	340.20467	182.9
[M]+	319.22945	178.9
[M]-	319.23055	178.9

Literature stripe

literature stripe

Patent stripe

patents stripe