CID 104224

Undecanal dimethyl acetal

Structural Information

Molecular Formula

C₁₃H₂₈O₂

SMILES

CCCCCCCCCCC(OC)OC

InChI

InChI=1S/C13H28O2/c1-4-5-6-7-8-9-10-11-12-13(14-2)15-3/h13H,4-12H2,1-3H3

InChIKey

FBJUQTUWWCVIDH-UHFFFAOYSA-N

Compound name

1,1-dimethoxyundecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 355
Patents: 216.20892 Da
Monoisotopic Mass: 5.1
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]+	217.216196	157.9
[M+Na]+	239.198138	161.9
[M-H]-	215.201644	156.9
[M+NH4]+	234.242743	176.7
[M+K]+	255.172078	161.3
[M+H-H2O]+	199.206180	152.0
[M+HCOO]-	261.207121	178.8
[M+CH3COO]-	275.222771	193.1
[M+Na-2H]-	237.183586	159.9
[M]+	216.20837142	164.1
[M]-	216.20946858	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe