CID 201484

Undecane-1,3-diol

Structural Information

Molecular Formula

C₁₁H₂₄O₂

SMILES

CCCCCCCCC(CCO)O

InChI

InChI=1S/C11H24O2/c1-2-3-4-5-6-7-8-11(13)9-10-12/h11-13H,2-10H2,1H3

InChIKey

CSFUNXXUTSRHPN-UHFFFAOYSA-N

Compound name

undecane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 188.17763 Da
Monoisotopic Mass: 3.2
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	147.4
[M+Na]+	211.16685	155.6
[M+NH4]+	206.21145	154.0
[M+K]+	227.14079	149.9
[M-H]-	187.17035	145.6
[M+Na-2H]-	209.15230	148.8
[M]+	188.17708	147.7
[M]-	188.17818	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe