CID 19377098

1306603-80-4

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

C1CC(C2=CC=CC=C2C1)OCCCN

InChI

InChI=1S/C13H19NO/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,5,7,13H,3-4,6,8-10,14H2

InChIKey

JENULZRUMFTMNL-UHFFFAOYSA-N

Compound name

3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 205.14667 Da
Monoisotopic Mass: 1.8
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]+	206.153946	146.2
[M+Na]+	228.135888	151.3
[M-H]-	204.139394	149.2
[M+NH4]+	223.180493	165.6
[M+K]+	244.109828	148.1
[M+H-H2O]+	188.143930	139.6
[M+HCOO]-	250.144871	167.1
[M+CH3COO]-	264.160521	188.8
[M+Na-2H]-	226.121336	152.2
[M]+	205.14612142	143.5
[M]-	205.14721858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe