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

2
Annotation Hits: 0
References: 27
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]+	185.18999	147.7
[M+Na]+	207.17193	151.7
[M-H]-	183.17543	150.4
[M+NH4]+	202.21653	168.0
[M+K]+	223.14587	151.2
[M+H-H2O]+	167.17997	141.9
[M+HCOO]-	229.18091	168.3
[M+CH3COO]-	243.19656	183.3
[M+Na-2H]-	205.15738	150.9
[M]+	184.18216	148.5
[M]-	184.18326	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe