CID 13736428

(benzyloxy)(pentyl)amine

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CCCCCNOCC1=CC=CC=C1

InChI

InChI=1S/C12H19NO/c1-2-3-7-10-13-14-11-12-8-5-4-6-9-12/h4-6,8-9,13H,2-3,7,10-11H2,1H3

InChIKey

DQDKBARNLQAJCV-UHFFFAOYSA-N

Compound name

N-phenylmethoxypentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 193.14667 Da
Monoisotopic Mass: 3.1
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]+	194.15395	144.8
[M+Na]+	216.13589	150.0
[M-H]-	192.13939	147.7
[M+NH4]+	211.18049	164.0
[M+K]+	232.10983	147.8
[M+H-H2O]+	176.14393	138.1
[M+HCOO]-	238.14487	169.7
[M+CH3COO]-	252.16052	187.3
[M+Na-2H]-	214.12134	151.7
[M]+	193.14612	146.5
[M]-	193.14722	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe