CID 2396989

Benzyl(2-methoxyethyl)amine

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

COCCNCC1=CC=CC=C1

InChI

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

InChIKey

BHKFRWOEIYJBLN-UHFFFAOYSA-N

Compound name

N-benzyl-2-methoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 346
Patents: 165.11537 Da
Monoisotopic Mass: 1.3
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]+	166.122646	135.6
[M+Na]+	188.104588	141.7
[M-H]-	164.108094	138.9
[M+NH4]+	183.149193	155.9
[M+K]+	204.078528	140.0
[M+H-H2O]+	148.112630	129.3
[M+HCOO]-	210.113571	161.1
[M+CH3COO]-	224.129221	181.2
[M+Na-2H]-	186.090036	143.6
[M]+	165.11482142	136.6
[M]-	165.11591858	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe