CID 91245

Dtxsid00947845

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC1=CC(=C(C=C1)CC(C)N)OC

InChI

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

InChIKey

GCODSUWFMIHFEM-UHFFFAOYSA-N

Compound name

1-(2-methoxy-4-methylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 179.13101 Da
Monoisotopic Mass: 2.0
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]+	180.138286	140.7
[M+Na]+	202.120228	148.1
[M-H]-	178.123734	144.2
[M+NH4]+	197.164833	160.8
[M+K]+	218.094168	146.3
[M+H-H2O]+	162.128270	134.9
[M+HCOO]-	224.129211	164.3
[M+CH3COO]-	238.144861	186.7
[M+Na-2H]-	200.105676	144.4
[M]+	179.13046142	141.2
[M]-	179.13155858	141.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.