CID 110735

Tetrahydro-2-octylfuran

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CCCCCCCCC1CCCO1

InChI

InChI=1S/C12H24O/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h12H,2-11H2,1H3

InChIKey

VDXKQHNJUOPHFV-UHFFFAOYSA-N

Compound name

2-octyloxolane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 38
Patents: 184.18271 Da
Monoisotopic Mass: 4.6
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]+	185.189986	147.7
[M+Na]+	207.171928	151.7
[M-H]-	183.175434	150.4
[M+NH4]+	202.216533	168.0
[M+K]+	223.145868	151.2
[M+H-H2O]+	167.179970	141.9
[M+HCOO]-	229.180911	168.3
[M+CH3COO]-	243.196561	183.3
[M+Na-2H]-	205.157376	150.9
[M]+	184.18216142	148.5
[M]-	184.18325858	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe