CID 110471

Octanal dioctyl acetal

Structural Information

Molecular Formula

C₂₄H₅₀O₂

SMILES

CCCCCCCCOC(CCCCCCC)OCCCCCCCC

InChI

InChI=1S/C24H50O2/c1-4-7-10-13-16-19-22-25-24(21-18-15-12-9-6-3)26-23-20-17-14-11-8-5-2/h24H,4-23H2,1-3H3

InChIKey

MOYIXNPVAUEVMW-UHFFFAOYSA-N

Compound name

1,1-dioctoxyoctane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 370.38107 Da
Monoisotopic Mass: 10.3
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]+	371.388346	207.5
[M+Na]+	393.370288	206.9
[M-H]-	369.373794	204.3
[M+NH4]+	388.414893	220.0
[M+K]+	409.344228	203.4
[M+H-H2O]+	353.378330	199.4
[M+HCOO]-	415.379271	224.7
[M+CH3COO]-	429.394921	225.7
[M+Na-2H]-	391.355736	203.6
[M]+	370.38052142	217.9
[M]-	370.38161858	217.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe