CID 4204029

2-(oxolan-2-yl)azepane

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

C1CCC(NCC1)C2CCCO2

InChI

InChI=1S/C10H19NO/c1-2-5-9(11-7-3-1)10-6-4-8-12-10/h9-11H,1-8H2

InChIKey

DCIMNTUWZQNTHD-UHFFFAOYSA-N

Compound name

2-(oxolan-2-yl)azepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	170.153946	136.7
[M+Na]+	192.135888	137.6
[M-H]-	168.139394	140.5
[M+NH4]+	187.180493	153.2
[M+K]+	208.109828	139.6
[M+H-H2O]+	152.143930	129.6
[M+HCOO]-	214.144871	151.7
[M+CH3COO]-	228.160521	146.9
[M+Na-2H]-	190.121336	139.2
[M]+	169.14612142	125.7
[M]-	169.14721858	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.