CID 69822

Undecane-1,11-diol

Structural Information

Molecular Formula

C₁₁H₂₄O₂

SMILES

C(CCCCCO)CCCCCO

InChI

InChI=1S/C11H24O2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2

InChIKey

XSMIOONHPKRREI-UHFFFAOYSA-N

Compound name

undecane-1,11-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10412
Patents: 188.17763 Da
Monoisotopic Mass: 3.8
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	149.1
[M+Na]+	211.16685	153.3
[M-H]-	187.17035	145.5
[M+NH4]+	206.21145	167.6
[M+K]+	227.14079	150.9
[M+H-H2O]+	171.17489	143.9
[M+HCOO]-	233.17583	168.7
[M+CH3COO]-	247.19148	180.9
[M+Na-2H]-	209.15230	152.4
[M]+	188.17708	151.3
[M]-	188.17818	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe