CID 3152106

50911-61-0

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC1=CC=CC=C1OCCCN

InChI

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

InChIKey

HQOJWFLRPSWMBC-UHFFFAOYSA-N

Compound name

3-(2-methylphenoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	135.8
[M+Na]+	188.10459	148.0
[M+NH4]+	183.14919	144.7
[M+K]+	204.07853	141.0
[M-H]-	164.10809	138.9
[M+Na-2H]-	186.09004	143.0
[M]+	165.11482	138.4
[M]-	165.11592	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe