CID 173313

Pargyline n-oxide

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

C[N+](CC#C)(CC1=CC=CC=C1)[O-]

InChI

InChI=1S/C11H13NO/c1-3-9-12(2,13)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3

InChIKey

NZCJCBZLNHDNCR-UHFFFAOYSA-N

Compound name

N-benzyl-N-methylprop-2-yn-1-amine oxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 0
Patents: 175.09972 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]+	176.10700	139.2
[M+Na]+	198.08894	152.6
[M+NH4]+	193.13354	145.0
[M+K]+	214.06288	144.4
[M-H]-	174.09244	135.1
[M+Na-2H]-	196.07439	144.0
[M]+	175.09917	139.3
[M]-	175.10027	139.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.