CID 145224

91323-12-5

Structural Information

Molecular Formula

C₂₀H₃₅N

SMILES

CCCCCCCCCCCCCCC1=CC=C(C=C1)N

InChI

InChI=1S/C20H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(21)18-16-19/h15-18H,2-14,21H2,1H3

InChIKey

WKYFQPQIOXXPGE-UHFFFAOYSA-N

Compound name

4-tetradecylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 378
Patents: 289.27695 Da
Monoisotopic Mass: 8.3
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]+	290.28423	178.2
[M+Na]+	312.26617	181.0
[M-H]-	288.26967	179.4
[M+NH4]+	307.31077	193.5
[M+K]+	328.24011	175.9
[M+H-H2O]+	272.27421	170.3
[M+HCOO]-	334.27515	199.4
[M+CH3COO]-	348.29080	209.9
[M+Na-2H]-	310.25162	179.0
[M]+	289.27640	180.7
[M]-	289.27750	180.7

Literature stripe

literature stripe

Patent stripe

patents stripe