CID 82296

2-(octyloxy)ethanol

Structural Information

Molecular Formula

C₁₀H₂₂O₂

SMILES

CCCCCCCCOCCO

InChI

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

InChIKey

ZQCIMPBZCZUDJM-UHFFFAOYSA-N

Compound name

2-octoxyethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 3110
Patents: 174.16199 Da
Monoisotopic Mass: 2.9
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]+	175.16927	143.9
[M+Na]+	197.15121	149.0
[M-H]-	173.15471	142.0
[M+NH4]+	192.19581	163.8
[M+K]+	213.12515	147.8
[M+H-H2O]+	157.15925	138.8
[M+HCOO]-	219.16019	165.4
[M+CH3COO]-	233.17584	180.6
[M+Na-2H]-	195.13666	148.4
[M]+	174.16144	147.8
[M]-	174.16254	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe