CID 268107

66046-64-8

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CNCCOCC1=CC=CC=C1

InChI

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

InChIKey

SXTMQFFVVICKDI-UHFFFAOYSA-N

Compound name

N-methyl-2-phenylmethoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 165.11537 Da
Monoisotopic Mass: 1.1
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	135.6
[M+Na]+	188.10459	141.7
[M-H]-	164.10809	138.9
[M+NH4]+	183.14919	155.9
[M+K]+	204.07853	140.0
[M+H-H2O]+	148.11263	129.3
[M+HCOO]-	210.11357	161.1
[M+CH3COO]-	224.12922	181.2
[M+Na-2H]-	186.09004	143.6
[M]+	165.11482	136.6
[M]-	165.11592	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe