CID 110201

4-(8-methylnonyl)aniline

Structural Information

Molecular Formula

C₁₆H₂₇N

SMILES

CC(C)CCCCCCCC1=CC=C(C=C1)N

InChI

InChI=1S/C16H27N/c1-14(2)8-6-4-3-5-7-9-15-10-12-16(17)13-11-15/h10-14H,3-9,17H2,1-2H3

InChIKey

VTDJVUVSXKGADB-UHFFFAOYSA-N

Compound name

4-(8-methylnonyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 233.21436 Da
Monoisotopic Mass: 5.8
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]+	234.22164	160.3
[M+Na]+	256.20358	171.4
[M+NH4]+	251.24818	168.6
[M+K]+	272.17752	163.2
[M-H]-	232.20708	163.4
[M+Na-2H]-	254.18903	165.9
[M]+	233.21381	162.7
[M]-	233.21491	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe