CID 102816

2-heptyltetrahydrofuran

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CCCCCCCC1CCCO1

InChI

InChI=1S/C11H22O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h11H,2-10H2,1H3

InChIKey

VBQKNJGYWOBPMY-UHFFFAOYSA-N

Compound name

2-heptyloxolane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 532
Patents: 170.16707 Da
Monoisotopic Mass: 4.1
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]+	171.17435	143.1
[M+Na]+	193.15629	147.5
[M-H]-	169.15979	145.9
[M+NH4]+	188.20089	163.9
[M+K]+	209.13023	147.2
[M+H-H2O]+	153.16433	137.5
[M+HCOO]-	215.16527	164.0
[M+CH3COO]-	229.18092	180.3
[M+Na-2H]-	191.14174	146.8
[M]+	170.16652	143.5
[M]-	170.16762	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe