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	150.0
[M+Na]+	219.14678	153.2
[M-H]-	195.15028	152.3
[M+NH4]+	214.19138	158.0
[M+K]+	235.12072	153.9
[M+H-H2O]+	179.15482	145.6
[M+HCOO]-	241.15576	158.6
[M+CH3COO]-	255.17141	154.6
[M+Na-2H]-	217.13223	150.1
[M]+	196.15701	147.2
[M]-	196.15811	147.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.