CID 11447032

R-deprenyl n-oxide

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

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

InChI

InChI=1S/C13H17NO/c1-4-10-14(3,15)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3

InChIKey

IVFPCTFUZXEDKP-UHFFFAOYSA-N

Compound name

N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine oxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 203.13101 Da
Monoisotopic Mass: 2.2
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]+	204.13829	153.5
[M+Na]+	226.12023	161.3
[M-H]-	202.12373	155.1
[M+NH4]+	221.16483	170.0
[M+K]+	242.09417	153.3
[M+H-H2O]+	186.12827	146.0
[M+HCOO]-	248.12921	170.1
[M+CH3COO]-	262.14486	190.8
[M+Na-2H]-	224.10568	159.2
[M]+	203.13046	146.3
[M]-	203.13156	146.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.