CID 84652207

Schembl15716388

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC(C1=CC=CC(=C1)COC)N

InChI

InChI=1S/C10H15NO/c1-8(11)10-5-3-4-9(6-10)7-12-2/h3-6,8H,7,11H2,1-2H3

InChIKey

RZXVUMPTVKMQTF-UHFFFAOYSA-N

Compound name

1-[3-(methoxymethyl)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 165.11537 Da
Monoisotopic Mass: 0.8
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]+	166.12265	136.6
[M+Na]+	188.10459	143.4
[M-H]-	164.10809	139.8
[M+NH4]+	183.14919	156.9
[M+K]+	204.07853	141.8
[M+H-H2O]+	148.11263	130.6
[M+HCOO]-	210.11357	160.4
[M+CH3COO]-	224.12922	182.5
[M+Na-2H]-	186.09004	141.5
[M]+	165.11482	136.2
[M]-	165.11592	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe