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: 432
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]+	189.184906	148.5
[M+Na]+	211.166848	153.2
[M-H]-	187.170354	146.4
[M+NH4]+	206.211453	167.8
[M+K]+	227.140788	151.7
[M+H-H2O]+	171.174890	143.1
[M+HCOO]-	233.175831	169.6
[M+CH3COO]-	247.191481	183.6
[M+Na-2H]-	209.152296	152.4
[M]+	188.17708142	152.7
[M]-	188.17817858	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe