CID 8031

2,5-dimethyl-2,5-hexanediol

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CC(C)(CCC(C)(C)O)O

InChI

InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3

InChIKey

ZWNMRZQYWRLGMM-UHFFFAOYSA-N

Compound name

2,5-dimethylhexane-2,5-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 9281
Patents: 146.13068 Da
Monoisotopic Mass: 0.8
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]+	147.13796	134.1
[M+Na]+	169.11990	142.6
[M+NH4]+	164.16450	140.9
[M+K]+	185.09384	139.4
[M-H]-	145.12340	131.3
[M+Na-2H]-	167.10535	136.4
[M]+	146.13013	134.4
[M]-	146.13123	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe