CID 16790751

3-(naphthalen-2-yloxy)propan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₅NO

SMILES

C1=CC=C2C=C(C=CC2=C1)OCCCN

InChI

InChI=1S/C13H15NO/c14-8-3-9-15-13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9,14H2

InChIKey

GGPOZDBJXGCCPA-UHFFFAOYSA-N

Compound name

3-naphthalen-2-yloxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 201.11537 Da
Monoisotopic Mass: 2.9
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]+	202.122646	143.4
[M+Na]+	224.104588	150.6
[M-H]-	200.108094	147.2
[M+NH4]+	219.149193	163.2
[M+K]+	240.078528	147.0
[M+H-H2O]+	184.112630	136.8
[M+HCOO]-	246.113571	167.2
[M+CH3COO]-	260.129221	188.1
[M+Na-2H]-	222.090036	151.4
[M]+	201.11482142	143.6
[M]-	201.11591858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe