CID 11084346

Hexanal butane-2,3-diol acetal

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCCC1OC(C(O1)C)C

InChI

InChI=1S/C10H20O2/c1-4-5-6-7-10-11-8(2)9(3)12-10/h8-10H,4-7H2,1-3H3

InChIKey

CMOJDAJROWMHLQ-UHFFFAOYSA-N

Compound name

4,5-dimethyl-2-pentyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 57
Patents: 172.14633 Da
Monoisotopic Mass: 3.1
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]+	173.15361	139.3
[M+Na]+	195.13555	149.8
[M+NH4]+	190.18015	147.6
[M+K]+	211.10949	146.2
[M-H]-	171.13905	143.1
[M+Na-2H]-	193.12100	141.8
[M]+	172.14578	141.7
[M]-	172.14688	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe