CID 61930

2-(undecyloxy)ethanol

Structural Information

Molecular Formula

C₁₃H₂₈O₂

SMILES

CCCCCCCCCCCOCCO

InChI

InChI=1S/C13H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14/h14H,2-13H2,1H3

InChIKey

KLMGMPDXSPSCOC-UHFFFAOYSA-N

Compound name

2-undecoxyethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 683
Patents: 216.20892 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]+	217.21620	157.6
[M+Na]+	239.19814	161.4
[M-H]-	215.20164	155.1
[M+NH4]+	234.24274	175.7
[M+K]+	255.17208	159.4
[M+H-H2O]+	199.20618	151.8
[M+HCOO]-	261.20712	178.0
[M+CH3COO]-	275.22277	189.6
[M+Na-2H]-	237.18359	160.4
[M]+	216.20837	162.5
[M]-	216.20947	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe