CID 93391

8-ethoxyoctan-1-ol;methane

Structural Information

Molecular Formula

C₁₀H₂₂O₂

SMILES

CCOCCCCCCCCO

InChI

InChI=1S/C10H22O2/c1-2-12-10-8-6-4-3-5-7-9-11/h11H,2-10H2,1H3

InChIKey

LAYHMKGDTFMKGR-UHFFFAOYSA-N

Compound name

8-ethoxyoctan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 269
Patents: 174.16199 Da
Monoisotopic Mass: 2.3
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]+	175.169266	143.9
[M+Na]+	197.151208	149.0
[M-H]-	173.154714	142.0
[M+NH4]+	192.195813	163.8
[M+K]+	213.125148	147.8
[M+H-H2O]+	157.159250	138.8
[M+HCOO]-	219.160191	165.4
[M+CH3COO]-	233.175841	180.6
[M+Na-2H]-	195.136656	148.4
[M]+	174.16144142	147.8
[M]-	174.16253858	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe