CID 28638

N-nitrosoephedrine

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(C(C1=CC=CC=C1)O)N(C)N=O

InChI

InChI=1S/C10H14N2O2/c1-8(12(2)11-14)10(13)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3

InChIKey

ZVTOLKAVCZXHFM-UHFFFAOYSA-N

Compound name

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: 1.5
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]+	195.11281	142.7
[M+Na]+	217.09475	147.7
[M-H]-	193.09825	147.5
[M+NH4]+	212.13935	161.7
[M+K]+	233.06869	148.3
[M+H-H2O]+	177.10279	135.6
[M+HCOO]-	239.10373	168.1
[M+CH3COO]-	253.11938	192.5
[M+Na-2H]-	215.08020	147.6
[M]+	194.10498	143.5
[M]-	194.10608	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe