CID 18361386

(benzyloxy)(butyl)amine

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CCCCNOCC1=CC=CC=C1

InChI

InChI=1S/C11H17NO/c1-2-3-9-12-13-10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3

InChIKey

GPNSNRWSOXMBLZ-UHFFFAOYSA-N

Compound name

N-phenylmethoxybutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 179.13101 Da
Monoisotopic Mass: 2.6
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]+	180.13829	140.7
[M+Na]+	202.12023	152.6
[M+NH4]+	197.16483	149.6
[M+K]+	218.09417	144.9
[M-H]-	178.12373	143.9
[M+Na-2H]-	200.10568	148.3
[M]+	179.13046	143.3
[M]-	179.13156	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe