CID 87064

Schembl10738006

Structural Information

Molecular Formula

C₁₂H₂₁NO

SMILES

C1CCCC(=CCC1)N2CCOCC2

InChI

InChI=1S/C12H21NO/c1-2-4-6-12(7-5-3-1)13-8-10-14-11-9-13/h6H,1-5,7-11H2

InChIKey

GIOZEASIFJZSBE-UHFFFAOYSA-N

Compound name

4-(cycloocten-1-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 195.16231 Da
Monoisotopic Mass: 2.8
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]+	196.169586	147.2
[M+Na]+	218.151528	150.0
[M-H]-	194.155034	149.2
[M+NH4]+	213.196133	154.5
[M+K]+	234.125468	150.8
[M+H-H2O]+	178.159570	142.7
[M+HCOO]-	240.160511	154.3
[M+CH3COO]-	254.176161	151.6
[M+Na-2H]-	216.136976	147.8
[M]+	195.16176142	143.9
[M]-	195.16285858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe