CID 3043124

55074-84-5

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

C1CCN(CC1)C2CCCOC2

InChI

InChI=1S/C10H19NO/c1-2-6-11(7-3-1)10-5-4-8-12-9-10/h10H,1-9H2

InChIKey

BMUNIIPALKBYAG-UHFFFAOYSA-N

Compound name

1-(oxan-3-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 169.14667 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]+	170.15395	139.6
[M+Na]+	192.13589	141.6
[M-H]-	168.13939	143.5
[M+NH4]+	187.18049	156.4
[M+K]+	208.10983	141.5
[M+H-H2O]+	152.14393	131.7
[M+HCOO]-	214.14487	154.5
[M+CH3COO]-	228.16052	176.8
[M+Na-2H]-	190.12134	144.4
[M]+	169.14612	131.1
[M]-	169.14722	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe