CID 415392

84803-58-7

Structural Information

Molecular Formula

C₁₉H₃₃N

SMILES

CCCCCCCCCCCC(C1=CC=C(C=C1)C)N

InChI

InChI=1S/C19H33N/c1-3-4-5-6-7-8-9-10-11-12-19(20)18-15-13-17(2)14-16-18/h13-16,19H,3-12,20H2,1-2H3

InChIKey

MTEATTHFJDCQLP-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)dodecan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 275.2613 Da
Monoisotopic Mass: 6.8
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]+	276.268576	174.7
[M+Na]+	298.250518	177.7
[M-H]-	274.254024	176.2
[M+NH4]+	293.295123	190.6
[M+K]+	314.224458	173.3
[M+H-H2O]+	258.258560	167.1
[M+HCOO]-	320.259501	195.3
[M+CH3COO]-	334.275151	207.7
[M+Na-2H]-	296.235966	174.7
[M]+	275.26075142	176.2
[M]-	275.26184858	176.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe