CID 4629337

Decyloxy-methanol

Structural Information

Molecular Formula

C₁₁H₂₄O₂

SMILES

CCCCCCCCCCOCO

InChI

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

InChIKey

CDMVCFBAVCCGIE-UHFFFAOYSA-N

Compound name

decoxymethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 188.17763 Da
Monoisotopic Mass: 4.0
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	148.5
[M+Na]+	211.16685	153.2
[M-H]-	187.17035	146.4
[M+NH4]+	206.21145	167.8
[M+K]+	227.14079	151.7
[M+H-H2O]+	171.17489	143.1
[M+HCOO]-	233.17583	169.6
[M+CH3COO]-	247.19148	183.6
[M+Na-2H]-	209.15230	152.4
[M]+	188.17708	152.7
[M]-	188.17818	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe