CID 7131594

1052077-26-5

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC1=CC(=CC=C1)OCCCN

InChI

InChI=1S/C10H15NO/c1-9-4-2-5-10(8-9)12-7-3-6-11/h2,4-5,8H,3,6-7,11H2,1H3

InChIKey

KYPNQHWSJGEREB-UHFFFAOYSA-N

Compound name

3-(3-methylphenoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 165.11537 Da
Monoisotopic Mass: 2.1
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]+	166.12265	135.9
[M+Na]+	188.10459	143.0
[M-H]-	164.10809	139.1
[M+NH4]+	183.14919	156.3
[M+K]+	204.07853	140.9
[M+H-H2O]+	148.11263	129.9
[M+HCOO]-	210.11357	160.8
[M+CH3COO]-	224.12922	181.6
[M+Na-2H]-	186.09004	142.1
[M]+	165.11482	136.3
[M]-	165.11592	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe