CID 19017336

Schembl3878269

Structural Information

Molecular Formula

C₁₀H₂₂O₄

SMILES

C(CCCCC(O)O)CCCC(O)O

InChI

InChI=1S/C10H22O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h9-14H,1-8H2

InChIKey

GHAWWAWPFVZUNM-UHFFFAOYSA-N

Compound name

decane-1,1,10,10-tetrol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 206.15181 Da
Monoisotopic Mass: 1.4
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]+	207.15909	152.3
[M+Na]+	229.14103	155.5
[M-H]-	205.14453	146.1
[M+NH4]+	224.18563	168.3
[M+K]+	245.11497	153.4
[M+H-H2O]+	189.14907	147.2
[M+HCOO]-	251.15001	167.6
[M+CH3COO]-	265.16566	178.7
[M+Na-2H]-	227.12648	152.4
[M]+	206.15126	151.8
[M]-	206.15236	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe