CID 26050

N,n-dimethyl-2-phenoxyethanamine

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CN(C)CCOC1=CC=CC=C1

InChI

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

InChIKey

RUHVDRGWCIAFLG-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-phenoxyethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 581
Patents: 165.11537 Da
Monoisotopic Mass: 1.9
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	135.9
[M+Na]+	188.104588	142.1
[M-H]-	164.108094	140.7
[M+NH4]+	183.149193	156.9
[M+K]+	204.078528	141.9
[M+H-H2O]+	148.112630	129.4
[M+HCOO]-	210.113571	161.9
[M+CH3COO]-	224.129221	184.8
[M+Na-2H]-	186.090036	143.1
[M]+	165.11482142	138.1
[M]-	165.11591858	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe