CID 294256

Mls000756307

Structural Information

Molecular Formula

C₁₁H₂₀N₂O

SMILES

C1CCCC(CCC1)NC2=NCCO2

InChI

InChI=1S/C11H20N2O/c1-2-4-6-10(7-5-3-1)13-11-12-8-9-14-11/h10H,1-9H2,(H,12,13)

InChIKey

IICONEMAVPCEOT-UHFFFAOYSA-N

Compound name

N-cyclooctyl-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 196.15756 Da
Monoisotopic Mass: 2.5
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]+	197.16484	144.8
[M+Na]+	219.14678	147.8
[M+NH4]+	214.19138	147.7
[M+K]+	235.12072	147.8
[M-H]-	195.15028	146.4
[M+Na-2H]-	217.13223	148.0
[M]+	196.15701	145.5
[M]-	196.15811	145.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.