CID 3035050

Norpseudopelleterine-n-oxyl

Structural Information

Molecular Formula

C₈H₁₂NO₂

SMILES

C1CC2CC(=O)CC(C1)N2[O]

InChI

InChI=1S/C8H12NO2/c10-8-4-6-2-1-3-7(5-8)9(6)11/h6-7H,1-5H2

InChIKey

AMZBXNVXJGUYMF-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 154.0868 Da
Monoisotopic Mass: 0.2
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]+	155.09408	130.7
[M+Na]+	177.07602	137.2
[M-H]-	153.07952	131.7
[M+NH4]+	172.12062	152.1
[M+K]+	193.04996	136.1
[M+H-H2O]+	137.08406	124.8
[M+HCOO]-	199.08500	147.3
[M+CH3COO]-	213.10065	176.8
[M+Na-2H]-	175.06147	137.3
[M]+	154.08625	127.2
[M]-	154.08735	127.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.