CID 232909

N-dodecylbenzylamine hydrochloride

Structural Information

Molecular Formula

C₁₉H₃₃N

SMILES

CCCCCCCCCCCCNCC1=CC=CC=C1

InChI

InChI=1S/C19H33N/c1-2-3-4-5-6-7-8-9-10-14-17-20-18-19-15-12-11-13-16-19/h11-13,15-16,20H,2-10,14,17-18H2,1H3

InChIKey

TWOFDIYIPNBWBG-UHFFFAOYSA-N

Compound name

N-benzyldodecan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 694
Patents: 275.2613 Da
Monoisotopic Mass: 6.9
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	173.4
[M+Na]+	298.250518	175.6
[M-H]-	274.254024	174.8
[M+NH4]+	293.295123	189.2
[M+K]+	314.224458	171.1
[M+H-H2O]+	258.258560	165.4
[M+HCOO]-	320.259501	195.5
[M+CH3COO]-	334.275151	206.5
[M+Na-2H]-	296.235966	176.4
[M]+	275.26075142	176.1
[M]-	275.26184858	176.1

Literature stripe

literature stripe

Patent stripe

patents stripe