CID 94495

2-nonoxyethanol

Structural Information

Molecular Formula

C₁₁H₂₄O₂

SMILES

CCCCCCCCCOCCO

InChI

InChI=1S/C11H24O2/c1-2-3-4-5-6-7-8-10-13-11-9-12/h12H,2-11H2,1H3

InChIKey

IVVIWWSNOHDUFQ-UHFFFAOYSA-N

Compound name

2-nonoxyethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 239
Patents: 188.17763 Da
Monoisotopic Mass: 3.5
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]+	189.18491	146.6
[M+Na]+	211.16685	155.6
[M+NH4]+	206.21145	153.6
[M+K]+	227.14079	148.8
[M-H]-	187.17035	145.5
[M+Na-2H]-	209.15230	148.9
[M]+	188.17708	147.3
[M]-	188.17818	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe